#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg7 s SER 2 N 0.00 -0.08 -0.01 1.61 0.15 -1.26 -5.15 113.70 108.96 1wg7 s SER 2 Ca 0.00 -0.03 -0.21 0.00 0.70 0.00 0.00 55.95 56.41 1wg7 s SER 2 Cb 0.00 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.57 1wg7 s SER 2 CO 0.00 -0.01 0.61 -0.94 1.20 0.00 0.00 173.24 174.10 1wg7 s SER 3 N 2.22 6.98 0.00 5.45 1.04 -1.26 -4.98 113.70 123.14 1wg7 s SER 3 Ca 0.18 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.78 1wg7 s SER 3 Cb 0.04 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1wg7 s SER 3 CO -0.18 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1wg7 n GLY 4 N 2.54 3.03 2.23 7.32 0.00 -1.26 -5.09 105.19 113.96 1wg7 n GLY 4 Ca -0.06 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 0.29 -2.55 1.61 7.64 -1.26 -5.02 113.62 114.33 1wg7 n SER 5 Ca 0.00 -2.69 -0.05 0.00 1.01 0.00 0.00 58.87 57.14 1wg7 n SER 5 Cb 0.00 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.53 1wg7 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wg7 n SER 6 N 1.56 -1.24 0.00 6.43 2.88 -1.26 -5.08 113.62 116.92 1wg7 n SER 6 Ca 0.23 1.38 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1wg7 n SER 6 Cb 0.52 -5.21 0.00 0.00 -0.75 0.00 0.00 64.21 58.77 1wg7 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg7 n GLY 7 N 1.70 3.16 3.55 0.46 0.00 -1.26 -5.17 105.19 107.63 1wg7 n GLY 7 Ca -0.38 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.31 -2.68 -0.29 4.61 0.00 -1.26 -4.97 121.76 116.86 1wg7 s ALA 8 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1wg7 s ALA 8 Cb 0.00 -1.98 0.19 0.00 0.00 0.00 0.00 23.12 21.34 1wg7 s ALA 8 CO 0.00 -0.48 0.75 0.00 0.00 0.00 0.00 175.76 176.03 1wg7 s ALA 9 N 1.39 -2.98 -0.25 0.00 0.00 -1.26 -5.13 121.76 113.54 1wg7 s ALA 9 Ca -0.07 1.15 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 1wg7 s ALA 9 Cb -0.03 -2.65 0.02 0.00 0.00 0.00 0.00 23.12 20.47 1wg7 s ALA 9 CO -0.13 -1.93 -0.07 -1.12 0.00 0.00 0.00 175.76 172.52 1wg7 s SER 10 N 2.86 4.27 0.24 0.00 0.01 -1.26 -5.09 113.70 114.73 1wg7 s SER 10 Ca 0.16 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.57 1wg7 s SER 10 Cb -0.07 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 1wg7 s SER 10 CO -0.25 -0.12 0.12 -0.76 0.41 0.00 0.00 173.24 172.64 1wg7 s LEU 11 N 1.33 1.44 0.00 2.44 1.43 -1.26 -5.15 118.68 118.91 1wg7 s LEU 11 Ca 0.00 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 1wg7 s LEU 11 Cb -0.16 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.26 1wg7 s LEU 11 CO -0.05 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.34 1wg7 n GLY 12 N -0.40 3.08 1.56 -3.19 0.00 -1.26 -5.14 105.19 99.83 1wg7 n GLY 12 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1wg7 n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg7 n SER 13 N 0.00 -8.33 -3.66 1.61 2.88 -1.26 -4.93 113.62 99.93 1wg7 n SER 13 Ca 0.00 1.17 -0.02 0.00 -1.33 0.00 0.00 58.87 58.70 1wg7 n SER 13 Cb 0.00 -4.38 -0.01 0.00 -0.75 0.00 0.00 64.21 59.07 1wg7 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wg7 s GLN 14 N -3.21 0.97 -0.03 -1.46 -2.07 -1.26 -5.03 119.66 107.57 1wg7 s GLN 14 Ca 0.00 -0.56 -0.03 0.00 -1.82 0.00 0.00 55.36 52.96 1wg7 s GLN 14 Cb 0.00 0.32 0.01 0.00 -1.09 0.00 0.00 33.01 32.25 1wg7 s GLN 14 CO 0.00 -0.45 0.05 1.17 -1.32 0.00 0.00 175.29 174.75 1wg7 n LYS 15 N -0.52 -4.38 0.00 9.60 4.81 -1.26 -4.89 118.16 121.52 1wg7 n LYS 15 Ca -0.06 3.21 0.00 0.00 -0.87 0.00 0.00 58.31 60.59 1wg7 n LYS 15 Cb 0.61 -4.20 0.00 0.00 0.02 0.00 0.00 35.03 31.46 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 1.88 0.57 3.39 3.14 0.00 -1.26 -5.06 105.19 107.84 1wg7 n GLY 16 Ca -0.09 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.10 3.80 -0.02 0.00 -1.26 -5.00 105.19 102.60 1wg7 n GLY 17 Ca 0.00 1.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.86 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 -1.67 1.06 0.00 -0.61 1.01 -1.26 -5.15 121.20 114.58 1wg7 s ILE 18 Ca 0.36 -1.96 0.00 0.00 0.00 0.00 0.00 60.65 59.05 1wg7 s ILE 18 Cb -0.05 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1wg7 s ILE 18 CO 0.85 0.00 0.00 1.07 0.00 0.00 0.00 174.94 176.86 1wg7 n THR 19 N -1.35 0.00 -3.61 2.92 5.66 -1.26 -4.93 114.28 111.71 1wg7 n THR 19 Ca -0.20 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.76 1wg7 n THR 19 Cb 0.67 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.42 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 0.23 0.04 1.09 2.20 -1.26 -5.04 119.74 114.99 1wg7 s LYS 20 Ca 0.00 -0.07 -0.17 0.00 -0.36 0.00 0.00 55.97 55.37 1wg7 s LYS 20 Cb 0.00 0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1wg7 s LYS 20 CO 0.00 -0.10 0.39 -3.38 -0.36 0.00 0.00 175.35 171.91 1wg7 s HIS 21 N -2.13 -0.24 0.00 4.03 -3.43 -1.26 -2.66 115.29 109.60 1wg7 s HIS 21 Ca 0.09 0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.57 1wg7 s HIS 21 Cb -0.01 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.33 1wg7 s HIS 21 CO -0.04 -0.54 0.00 0.41 -2.00 0.00 0.00 174.74 172.56 1wg7 n GLY 22 N 0.61 1.42 3.79 -1.38 0.00 -1.22 -5.06 105.19 103.35 1wg7 n GLY 22 Ca -0.19 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.95 3.81 0.24 1.61 0.52 -1.26 -2.26 118.94 119.65 1wg7 s TRP 23 Ca 0.00 1.55 0.05 0.00 0.02 0.00 0.00 56.10 57.72 1wg7 s TRP 23 Cb 0.00 -2.71 -0.02 0.00 -1.15 0.00 0.00 33.47 29.59 1wg7 s TRP 23 CO 0.00 0.45 0.18 1.28 0.02 0.00 0.00 176.95 178.88 1wg7 n LEU 24 N 1.27 0.00 -3.65 2.99 4.77 0.29 -4.78 117.00 117.89 1wg7 n LEU 24 Ca -0.05 -2.23 -0.29 0.00 -0.03 0.00 0.00 56.01 53.41 1wg7 n LEU 24 Cb 0.50 1.10 -0.14 0.00 -2.33 0.00 0.00 43.42 42.56 1wg7 n LEU 24 CO 0.45 -0.37 -0.29 -0.31 -1.33 0.00 0.00 177.39 175.54 1wg7 s TYR 25 N -2.90 1.50 0.59 -1.77 2.02 -0.28 0.18 117.35 116.69 1wg7 s TYR 25 Ca 0.26 -1.93 -0.15 0.00 -0.37 0.00 0.00 57.07 54.88 1wg7 s TYR 25 Cb 0.01 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 1wg7 s TYR 25 CO 0.18 -0.83 1.05 0.21 -1.57 0.00 0.00 175.55 174.59 1wg7 s LYS 26 N 1.02 3.37 0.00 -0.62 2.20 -0.92 -2.42 119.74 122.37 1wg7 s LYS 26 Ca 0.15 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1wg7 s LYS 26 Cb -0.21 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 1wg7 s LYS 26 CO -0.10 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 1wg7 n GLY 27 N -1.22 4.23 0.00 5.54 0.00 0.14 -3.03 105.19 110.86 1wg7 n GLY 27 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1wg7 n GLY 27 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wg7 n ASN 28 N 0.00 0.00 -1.47 1.61 6.94 -1.26 -4.54 115.26 116.54 1wg7 n ASN 28 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1wg7 n ASN 28 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1wg7 n ASN 28 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1wg7 n MET 29 N -0.70 -3.74 -3.75 -3.83 1.56 -1.17 -4.66 117.12 100.83 1wg7 n MET 29 Ca 0.00 2.77 -0.15 0.00 -0.27 0.00 0.00 57.70 60.06 1wg7 n MET 29 Cb 0.00 -2.89 -0.05 0.00 2.15 0.00 0.00 33.22 32.43 1wg7 n MET 29 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1wg7 n ASN 30 N 0.93 -0.80 0.00 6.12 4.13 -1.25 -4.90 115.26 119.49 1wg7 n ASN 30 Ca 0.00 -2.73 0.00 0.00 1.68 0.00 0.00 54.58 53.53 1wg7 n ASN 30 Cb 0.00 1.68 0.00 0.00 -1.54 0.00 0.00 39.78 39.92 1wg7 n ASN 30 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wg7 n SER 31 N -1.83 0.00 -3.83 6.41 7.64 -1.26 -4.45 113.62 116.30 1wg7 n SER 31 Ca 0.04 0.30 -0.24 0.00 1.01 0.00 0.00 58.87 59.98 1wg7 n SER 31 Cb 0.50 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.85 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 -1.63 -2.21 -0.07 -0.43 0.00 -1.26 -4.81 120.51 110.10 1wg7 n ALA 32 Ca 0.00 -1.16 -0.21 0.00 0.00 0.00 0.00 53.44 52.07 1wg7 n ALA 32 Cb 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.41 0.95 0.00 0.00 6.09 -1.99 -2.99 117.51 117.16 1wg7 h ILE 33 Ca -0.35 -2.25 0.00 0.00 -1.37 0.00 0.00 64.86 60.89 1wg7 h ILE 33 Cb 1.00 2.43 0.00 0.00 0.47 0.00 0.00 36.82 40.72 1wg7 h ILE 33 CO 0.23 0.48 0.09 -1.28 -3.07 0.00 0.00 178.15 174.60 1wg7 h SER 34 N -0.73 0.00 0.39 2.19 0.87 -1.96 0.72 113.55 115.03 1wg7 h SER 34 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1wg7 h SER 34 Cb 1.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1wg7 h SER 34 CO -0.11 0.00 -1.33 0.55 -0.53 0.00 0.00 176.83 175.41 1wg7 n VAL 35 N -2.90 0.21 0.01 2.23 3.14 -1.25 -3.39 118.33 116.37 1wg7 n VAL 35 Ca -0.03 -0.38 -0.09 0.00 -2.96 0.00 0.00 64.34 60.88 1wg7 n VAL 35 Cb 0.15 0.07 -0.07 0.00 -1.06 0.00 0.00 33.84 32.92 1wg7 n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wg7 h THR 36 N 0.00 0.90 -0.54 1.55 1.03 0.57 -3.33 112.91 113.09 1wg7 h THR 36 Ca 0.00 -1.39 -0.07 0.00 -0.01 0.00 0.00 66.41 64.94 1wg7 h THR 36 Cb 0.86 1.60 -0.02 0.00 -1.07 0.00 0.00 68.15 69.52 1wg7 h THR 36 CO 0.00 0.27 0.05 0.24 -0.01 0.00 0.00 175.52 176.07 1wg7 h MET 37 N -0.92 0.88 -6.68 0.00 2.86 -1.51 -3.10 114.93 106.46 1wg7 h MET 37 Ca -0.01 -0.23 -0.55 0.00 -2.06 0.00 0.00 59.70 56.85 1wg7 h MET 37 Cb 0.53 -0.11 -0.34 0.00 0.06 0.00 0.00 31.60 31.74 1wg7 h MET 37 CO 0.02 0.85 -0.79 0.54 1.06 0.00 0.00 176.91 178.58 1wg7 n ARG 38 N -4.22 -0.76 -3.01 1.72 5.12 -1.22 -1.12 116.66 113.17 1wg7 n ARG 38 Ca 0.03 0.12 -0.08 0.00 -1.93 0.00 0.00 57.85 55.99 1wg7 n ARG 38 Cb 0.28 -4.14 0.01 0.00 -1.16 0.00 0.00 32.46 27.45 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 -2.06 -7.60 -4.35 0.55 7.64 -1.26 -4.71 113.62 101.83 1wg7 n SER 39 Ca 0.10 0.22 -0.55 0.00 1.01 0.00 0.00 58.87 59.65 1wg7 n SER 39 Cb 0.40 -4.94 -0.09 0.00 -1.01 0.00 0.00 64.21 58.56 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 -0.89 1.39 -3.49 1.43 3.01 -0.28 -4.89 117.46 113.75 1wg7 n PHE 40 Ca 0.04 0.50 -0.37 0.00 1.01 0.00 0.00 57.45 58.64 1wg7 n PHE 40 Cb 0.50 -2.42 -0.07 0.00 -0.01 0.00 0.00 39.48 37.48 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 6.14 4.21 0.23 -1.08 -0.14 -1.17 -4.95 119.74 122.98 1wg7 s LYS 41 Ca 1.14 0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 55.68 1wg7 s LYS 41 Cb -1.15 -3.39 -0.09 0.00 -1.68 0.00 0.00 37.83 31.52 1wg7 s LYS 41 CO 0.57 0.29 1.01 0.50 -0.76 0.00 0.00 175.35 176.96 1wg7 s ARG 42 N 0.26 4.74 0.18 1.68 3.52 -1.26 -2.16 118.95 125.91 1wg7 s ARG 42 Ca 0.20 1.61 -0.10 0.00 -0.13 0.00 0.00 55.73 57.31 1wg7 s ARG 42 Cb -0.14 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1wg7 s ARG 42 CO 0.07 0.32 0.33 0.50 -0.81 0.00 0.00 175.30 175.71 1wg7 s ARG 43 N -0.99 1.23 -0.44 5.12 6.06 0.13 -4.94 118.95 125.11 1wg7 s ARG 43 Ca 0.44 -1.18 -0.15 0.00 -2.50 0.00 0.00 55.73 52.35 1wg7 s ARG 43 Cb -0.28 0.40 0.05 0.00 0.06 0.00 0.00 34.95 35.18 1wg7 s ARG 43 CO 0.35 -0.47 0.35 0.12 -2.50 0.00 0.00 175.30 173.15 1wg7 s PHE 44 N -3.97 3.25 -0.23 5.12 5.36 -1.06 0.11 117.98 126.55 1wg7 s PHE 44 Ca 0.18 -0.82 -0.18 0.00 -0.96 0.00 0.00 56.93 55.15 1wg7 s PHE 44 Cb 0.03 -2.93 -0.03 0.00 -0.34 0.00 0.00 43.02 39.75 1wg7 s PHE 44 CO 0.01 -0.72 0.51 -0.06 -1.46 0.00 0.00 175.22 173.51 1wg7 s PHE 45 N 1.65 3.32 -0.06 10.12 0.40 -0.96 -0.81 117.98 131.64 1wg7 s PHE 45 Ca 0.04 0.70 0.06 0.00 -0.60 0.00 0.00 56.93 57.13 1wg7 s PHE 45 Cb -0.22 -2.69 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 1wg7 s PHE 45 CO 0.08 -0.19 -0.25 -1.58 0.70 0.00 0.00 175.22 173.98 1wg7 s HIS 46 N 1.96 2.42 -0.17 0.36 5.65 0.49 -3.46 115.29 122.54 1wg7 s HIS 46 Ca 0.22 -0.73 -0.14 0.00 0.25 0.00 0.00 55.06 54.67 1wg7 s HIS 46 Cb -0.15 -1.59 -0.05 0.00 -1.18 0.00 0.00 32.58 29.61 1wg7 s HIS 46 CO 0.09 -0.22 0.28 -1.17 -0.65 0.00 0.00 174.74 173.07 1wg7 s LEU 47 N -0.14 4.23 0.02 8.88 2.96 -1.09 0.05 118.68 133.60 1wg7 s LEU 47 Ca -0.04 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 1wg7 s LEU 47 Cb -0.14 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 1wg7 s LEU 47 CO 0.04 0.09 -0.08 -0.51 -1.32 0.00 0.00 176.35 174.57 1wg7 s ILE 48 N 0.54 0.60 -0.08 6.68 2.07 -0.51 -4.61 121.20 125.90 1wg7 s ILE 48 Ca 0.16 -0.71 -0.18 0.00 -1.41 0.00 0.00 60.65 58.51 1wg7 s ILE 48 Cb -0.13 -0.58 -0.05 0.00 0.13 0.00 0.00 42.46 41.83 1wg7 s ILE 48 CO 0.04 -0.10 0.47 -1.58 -1.91 0.00 0.00 174.94 171.86 1wg7 s GLN 49 N -0.89 4.25 0.00 3.50 0.74 -1.26 -0.66 119.66 125.33 1wg7 s GLN 49 Ca -0.03 0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.86 1wg7 s GLN 49 Cb -0.06 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1wg7 s GLN 49 CO 0.00 0.31 0.00 1.28 -0.55 0.00 0.00 175.29 176.33 1wg7 n LEU 50 N 3.13 0.00 -0.09 3.68 7.99 0.15 -4.62 117.00 127.24 1wg7 n LEU 50 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.91 1wg7 n LEU 50 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 1wg7 n LEU 50 CO 0.42 -1.33 0.12 0.61 -1.51 0.00 0.00 177.39 175.70 1wg7 n GLY 51 N 0.00 -0.49 0.00 -0.72 0.00 -1.26 -4.02 105.19 98.69 1wg7 n GLY 51 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.31 0.00 0.00 1.61 2.03 -1.26 -5.09 116.55 109.52 1wg7 n ASP 52 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1wg7 n ASP 52 Cb 0.08 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.00 -1.97 3.62 0.27 0.00 -1.26 -4.49 105.19 101.38 1wg7 n GLY 53 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 46.02 46.49 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 2.00 2.43 0.45 1.61 0.01 -1.26 -4.70 113.70 114.23 1wg7 s SER 54 Ca 0.00 1.91 0.06 0.00 1.31 0.00 0.00 55.95 59.23 1wg7 s SER 54 Cb 0.00 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1wg7 s SER 54 CO 0.00 -3.37 0.16 -0.31 0.41 0.00 0.00 173.24 170.13 1wg7 s TYR 55 N -2.62 2.35 -0.28 2.43 1.51 -1.26 0.30 117.35 119.77 1wg7 s TYR 55 Ca 0.67 -0.69 -0.15 0.00 -1.01 0.00 0.00 57.07 55.88 1wg7 s TYR 55 Cb -0.23 -1.87 0.09 0.00 -0.11 0.00 0.00 41.96 39.84 1wg7 s TYR 55 CO 0.60 0.15 0.72 -0.80 -1.11 0.00 0.00 175.55 175.10 1wg7 s ASN 56 N -3.92 -0.92 -0.29 2.29 0.01 0.16 -4.07 114.94 108.20 1wg7 s ASN 56 Ca 0.34 1.44 -0.18 0.00 -0.71 0.00 0.00 52.86 53.75 1wg7 s ASN 56 Cb 0.04 1.49 -0.02 0.00 0.41 0.00 0.00 41.25 43.17 1wg7 s ASN 56 CO 0.19 -0.22 0.51 -0.22 -1.51 0.00 0.00 177.10 175.85 1wg7 s LEU 57 N 1.79 4.12 0.21 0.60 2.96 -1.14 -1.42 118.68 125.80 1wg7 s LEU 57 Ca -0.09 0.37 0.09 0.00 -0.22 0.00 0.00 54.13 54.28 1wg7 s LEU 57 Cb -0.06 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 1wg7 s LEU 57 CO -0.19 -0.34 -0.05 0.54 -1.32 0.00 0.00 176.35 174.98 1wg7 s ASN 58 N 1.61 4.42 -0.05 3.68 2.20 0.11 0.14 114.94 127.05 1wg7 s ASN 58 Ca 0.21 -0.57 0.01 0.00 -0.94 0.00 0.00 52.86 51.56 1wg7 s ASN 58 Cb -0.15 -0.80 0.02 0.00 -2.00 0.00 0.00 41.25 38.31 1wg7 s ASN 58 CO 0.10 0.07 -0.04 0.72 -2.94 0.00 0.00 177.10 175.02 1wg7 s PHE 59 N -1.90 0.73 0.26 1.54 -0.71 -0.94 0.19 117.98 117.14 1wg7 s PHE 59 Ca 0.27 -0.20 0.08 0.00 -1.04 0.00 0.00 56.93 56.04 1wg7 s PHE 59 Cb -0.08 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 41.02 1wg7 s PHE 59 CO 0.17 -0.21 0.12 0.71 -1.34 0.00 0.00 175.22 174.68 1wg7 s TYR 60 N 1.03 2.96 0.59 3.49 1.51 0.01 -1.60 117.35 125.33 1wg7 s TYR 60 Ca -0.09 -0.15 0.28 0.00 -1.01 0.00 0.00 57.07 56.10 1wg7 s TYR 60 Cb -0.14 -1.33 1.68 0.00 -0.11 0.00 0.00 41.96 42.07 1wg7 s TYR 60 CO -0.01 0.56 2.14 1.57 -1.11 0.00 0.00 175.55 178.70 1wg7 h LYS 61 N 1.64 0.00 0.00 -0.62 2.10 -1.88 -2.79 116.57 115.02 1wg7 h LYS 61 Ca -0.47 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.06 1wg7 h LYS 61 Cb 1.24 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 1wg7 h LYS 61 CO 0.61 0.00 -0.03 -0.25 -2.00 0.00 0.00 179.45 177.78 1wg7 n ASP 62 N -3.85 -0.88 0.21 7.07 8.00 -1.26 -4.69 116.55 121.16 1wg7 n ASP 62 Ca 0.00 -2.02 0.05 0.00 0.71 0.00 0.00 54.79 53.54 1wg7 n ASP 62 Cb 0.26 1.58 0.47 0.00 -0.02 0.00 0.00 41.12 43.42 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 0.00 -5.81 -1.24 5.08 -1.92 -3.40 114.58 107.29 1wg7 h GLU 63 Ca -0.16 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.74 1wg7 h GLU 63 Cb 0.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1wg7 h GLU 63 CO 0.21 0.26 1.39 0.15 -1.00 0.00 0.00 179.01 180.02 1wg7 s LYS 64 N -4.34 2.38 0.00 2.33 1.02 -1.26 -4.90 119.74 114.98 1wg7 s LYS 64 Ca -0.03 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.83 1wg7 s LYS 64 Cb 0.15 -4.51 0.00 0.00 -0.52 0.00 0.00 37.83 32.95 1wg7 s LYS 64 CO 0.69 -3.04 0.00 0.44 -0.92 0.00 0.00 175.35 172.52 1wg7 n ILE 65 N 7.60 0.00 0.00 2.17 -5.35 -1.26 -4.73 119.36 117.79 1wg7 n ILE 65 Ca 0.28 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.76 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 -2.80 7.28 2.88 -1.26 -4.88 113.62 114.84 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 -1.17 -2.27 -1.46 4.76 -1.26 -4.90 118.16 111.86 1wg7 n LYS 67 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1wg7 n LYS 67 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1wg7 n LYS 67 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wg7 s GLU 68 N -2.71 4.26 0.79 1.97 2.02 -1.26 -5.00 118.70 118.76 1wg7 s GLU 68 Ca 0.00 1.88 -0.11 0.00 0.02 0.00 0.00 54.97 56.76 1wg7 s GLU 68 Cb 0.00 -3.71 0.07 0.00 0.10 0.00 0.00 34.13 30.59 1wg7 s GLU 68 CO 0.00 -0.65 1.10 -1.25 0.02 0.00 0.00 175.26 174.48 1wg7 s PRO 69 N 3.01 2.12 0.24 0.39 0.04 -1.26 -4.95 135.00 134.58 1wg7 s PRO 69 Ca 0.62 0.65 0.10 0.00 0.04 0.00 0.00 61.00 62.42 1wg7 s PRO 69 Cb -0.28 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 32.58 1wg7 s PRO 69 CO 0.23 -1.60 1.54 0.87 0.04 0.00 0.00 177.00 178.08 1wg7 h LYS 70 N -1.08 0.00 -1.11 4.56 1.79 -1.67 -3.48 116.57 115.59 1wg7 h LYS 70 Ca -0.47 0.00 0.37 0.00 -2.18 0.00 0.00 60.65 58.37 1wg7 h LYS 70 Cb 1.27 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.77 1wg7 h LYS 70 CO 0.59 0.69 0.96 0.20 -1.08 0.00 0.00 179.45 180.81 1wg7 s GLY 71 N -4.51 -0.43 -0.03 3.86 0.00 -1.23 -5.03 107.32 99.95 1wg7 s GLY 71 Ca -0.01 1.12 -0.01 0.00 0.00 0.00 0.00 44.72 45.83 1wg7 s GLY 71 CO 0.77 0.27 0.05 -1.35 0.00 0.00 0.00 173.10 172.83 1wg7 s SER 72 N -2.79 0.20 0.03 1.64 1.04 -1.26 -2.20 113.70 110.36 1wg7 s SER 72 Ca 0.14 0.08 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 1wg7 s SER 72 Cb 0.05 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 1wg7 s SER 72 CO -0.05 -0.15 0.93 -0.63 0.98 0.00 0.00 173.24 174.32 1wg7 s ILE 73 N 1.25 4.76 -1.26 -1.02 1.01 0.37 -4.92 121.20 121.38 1wg7 s ILE 73 Ca -0.07 1.97 -0.15 0.00 0.00 0.00 0.00 60.65 62.40 1wg7 s ILE 73 Cb -0.13 -4.28 0.13 0.00 0.01 0.00 0.00 42.46 38.19 1wg7 s ILE 73 CO -0.03 0.23 1.63 0.49 0.00 0.00 0.00 174.94 177.26 1wg7 n PHE 74 N 3.46 4.58 0.18 3.97 3.72 -1.26 -2.86 117.46 129.25 1wg7 n PHE 74 Ca 0.04 -3.11 0.17 0.00 -0.05 0.00 0.00 57.45 54.50 1wg7 n PHE 74 Cb 0.50 -2.34 0.68 0.00 -0.94 0.00 0.00 39.48 37.39 1wg7 n PHE 74 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1wg7 h LEU 75 N 10.50 0.00 -2.45 4.37 4.07 -1.93 1.54 115.31 131.41 1wg7 h LEU 75 Ca 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.34 1wg7 h LEU 75 Cb 0.83 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 1wg7 h LEU 75 CO 1.40 0.00 -0.02 -0.78 -1.08 0.00 0.00 178.44 177.96 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 1.82 -1.86 -2.52 116.42 113.42 1wg7 h ASP 76 Ca 0.13 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.64 1wg7 h ASP 76 Cb 1.17 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 1wg7 h ASP 76 CO -0.00 0.02 -1.60 -1.20 -1.61 0.00 0.00 179.24 174.85 1wg7 n SER 77 N -3.22 2.69 -4.70 2.28 7.64 0.51 -4.99 113.62 113.82 1wg7 n SER 77 Ca -0.02 0.00 -0.60 0.00 1.01 0.00 0.00 58.87 59.26 1wg7 n SER 77 Cb 0.15 0.92 -0.08 0.00 -1.01 0.00 0.00 64.21 64.19 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 6.21 0.34 0.00 0.00 0.00 0.15 -3.46 114.93 118.18 1wg7 h MET 79 Ca -0.46 -0.59 0.00 0.00 0.00 0.00 0.00 59.70 58.65 1wg7 h MET 79 Cb 1.34 0.22 0.00 0.00 0.00 0.00 0.00 31.60 33.16 1wg7 h MET 79 CO 0.93 1.28 0.00 0.41 0.00 0.00 0.00 176.91 179.54 1wg7 n GLY 80 N 1.68 0.95 3.64 8.32 0.00 -1.13 -4.95 105.19 113.69 1wg7 n GLY 80 Ca -0.15 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 5.04 0.52 1.61 1.01 -1.26 -0.94 120.40 124.37 1wg7 s VAL 81 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1wg7 s VAL 81 Cb 0.00 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.12 1wg7 s VAL 81 CO 0.00 0.40 0.71 0.68 0.00 0.00 0.00 175.10 176.89 1wg7 s VAL 82 N 0.76 2.50 -0.17 2.92 -7.23 0.16 -4.96 120.40 114.38 1wg7 s VAL 82 Ca 0.06 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 1wg7 s VAL 82 Cb -0.13 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.30 1wg7 s VAL 82 CO 0.02 0.00 -0.17 -1.10 -0.31 0.00 0.00 175.10 173.54 1wg7 s GLN 83 N -4.56 3.10 -0.02 4.82 -0.21 -1.26 -2.91 119.66 118.62 1wg7 s GLN 83 Ca 0.59 -0.79 -0.07 0.00 0.02 0.00 0.00 55.36 55.11 1wg7 s GLN 83 Cb -0.08 -2.63 -0.02 0.00 1.00 0.00 0.00 33.01 31.29 1wg7 s GLN 83 CO 0.37 -0.13 -0.14 -1.71 -2.12 0.00 0.00 175.29 171.56 1wg7 n ASN 84 N 4.43 1.35 -2.36 5.90 5.15 -0.57 -4.93 115.26 124.23 1wg7 n ASN 84 Ca -0.20 0.20 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 1wg7 n ASN 84 Cb 0.51 -0.49 -0.00 0.00 -0.53 0.00 0.00 39.78 39.27 1wg7 n ASN 84 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1wg7 n ASN 85 N -3.80 -1.85 -0.14 1.20 2.85 0.18 -4.72 115.26 108.99 1wg7 n ASN 85 Ca -0.06 0.38 -0.28 0.00 -0.11 0.00 0.00 54.58 54.51 1wg7 n ASN 85 Cb 0.21 -1.71 -0.09 0.00 1.24 0.00 0.00 39.78 39.42 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1wg7 n LYS 86 N -2.48 0.58 0.00 1.20 4.76 -1.26 -4.70 118.16 116.26 1wg7 n LYS 86 Ca -0.05 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1wg7 n LYS 86 Cb 0.50 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 1wg7 n LYS 86 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1wg7 n VAL 87 N -4.27 0.00 -4.27 -0.18 0.24 -1.26 -4.85 118.33 103.74 1wg7 n VAL 87 Ca -0.51 0.62 -0.32 0.00 -2.04 0.00 0.00 64.34 62.08 1wg7 n VAL 87 Cb 0.86 -1.51 -0.09 0.00 -1.47 0.00 0.00 33.84 31.63 1wg7 n VAL 87 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1wg7 s ARG 88 N -0.33 2.68 -0.43 7.34 3.52 -1.26 -5.03 118.95 125.44 1wg7 s ARG 88 Ca 0.00 -0.69 -0.44 0.00 -0.13 0.00 0.00 55.73 54.47 1wg7 s ARG 88 Cb 0.00 -2.61 -0.18 0.00 -1.56 0.00 0.00 34.95 30.60 1wg7 s ARG 88 CO 0.00 0.60 1.78 0.54 -0.81 0.00 0.00 175.30 177.41 1wg7 n ARG 89 N 1.22 0.38 -2.21 5.12 5.12 -1.26 -2.69 116.66 122.34 1wg7 n ARG 89 Ca -0.14 0.13 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 1wg7 n ARG 89 Cb 0.52 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1wg7 n ARG 89 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1wg7 n PHE 90 N 5.43 -1.71 -4.18 -1.55 3.72 -1.26 -4.57 117.46 113.34 1wg7 n PHE 90 Ca 0.35 0.68 -0.20 0.00 -0.05 0.00 0.00 57.45 58.23 1wg7 n PHE 90 Cb 0.01 -2.82 -0.16 0.00 -0.94 0.00 0.00 39.48 35.57 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 -2.10 0.68 0.07 4.37 0.00 -1.10 -1.75 121.76 121.94 1wg7 s ALA 91 Ca 0.10 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.07 1wg7 s ALA 91 Cb -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1wg7 s ALA 91 CO 0.39 -0.00 -0.21 -0.59 0.00 0.00 0.00 175.76 175.35 1wg7 s PHE 92 N 0.88 1.81 -0.05 0.00 -0.71 0.15 0.50 117.98 120.56 1wg7 s PHE 92 Ca -0.12 -0.39 -0.02 0.00 -1.04 0.00 0.00 56.93 55.36 1wg7 s PHE 92 Cb -0.14 -1.04 -0.04 0.00 -1.21 0.00 0.00 43.02 40.59 1wg7 s PHE 92 CO 0.00 0.14 0.09 -2.00 -1.34 0.00 0.00 175.22 172.11 1wg7 s GLU 93 N -1.48 3.18 -0.40 1.99 2.12 -1.15 -0.04 118.70 122.93 1wg7 s GLU 93 Ca 0.07 -0.37 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 1wg7 s GLU 93 Cb -0.09 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.37 1wg7 s GLU 93 CO 0.03 0.69 0.28 -0.51 -0.54 0.00 0.00 175.26 175.21 1wg7 s LEU 94 N -1.42 5.03 -0.23 2.70 2.01 0.54 -0.66 118.68 126.64 1wg7 s LEU 94 Ca 0.20 -0.92 -0.28 0.00 0.01 0.00 0.00 54.13 53.14 1wg7 s LEU 94 Cb -0.12 -2.13 0.00 0.00 0.01 0.00 0.00 46.19 43.95 1wg7 s LEU 94 CO 0.10 -0.44 0.97 -0.54 1.01 0.00 0.00 176.35 177.45 1wg7 s LYS 95 N 1.65 4.24 0.42 1.70 -0.14 -0.12 -2.57 119.74 124.93 1wg7 s LYS 95 Ca 0.04 1.22 0.08 0.00 -1.36 0.00 0.00 55.97 55.95 1wg7 s LYS 95 Cb -0.19 -3.64 -0.02 0.00 -1.68 0.00 0.00 37.83 32.30 1wg7 s LYS 95 CO 0.09 -0.59 0.36 -1.64 -0.76 0.00 0.00 175.35 172.82 1wg7 s MET 96 N 3.06 2.48 -0.01 1.68 -1.94 -0.63 0.17 119.30 124.12 1wg7 s MET 96 Ca 0.41 -1.60 0.19 0.00 -1.71 0.00 0.00 55.69 52.98 1wg7 s MET 96 Cb -0.15 -2.32 -0.23 0.00 2.01 0.00 0.00 34.83 34.14 1wg7 s MET 96 CO 0.07 -0.21 0.68 0.00 -0.01 0.00 0.00 175.02 175.54 1wg7 n GLN 97 N -1.53 0.79 -0.79 2.03 10.64 -1.01 -4.29 117.38 123.21 1wg7 n GLN 97 Ca 0.03 -0.05 -0.16 0.00 -1.83 0.00 0.00 57.00 54.99 1wg7 n GLN 97 Cb 0.62 -1.40 0.08 0.00 -0.86 0.00 0.00 30.24 28.68 1wg7 n GLN 97 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wg7 n ASP 98 N -1.65 4.78 -3.04 2.61 9.92 -1.26 -4.89 116.55 123.02 1wg7 n ASP 98 Ca 0.01 -3.00 -0.11 0.00 -0.53 0.00 0.00 54.79 51.16 1wg7 n ASP 98 Cb 0.35 -0.84 0.01 0.00 -0.64 0.00 0.00 41.12 40.00 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 -0.16 -2.12 0.00 -1.24 5.02 -1.26 -5.01 118.16 113.39 1wg7 n LYS 99 Ca 0.34 1.85 0.00 0.00 -2.02 0.00 0.00 58.31 58.48 1wg7 n LYS 99 Cb 0.91 -3.71 0.00 0.00 -0.02 0.00 0.00 35.03 32.21 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 0.37 0.00 -3.64 4.39 3.41 -1.26 -5.06 113.62 111.82 1wg7 n SER 100 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.48 1wg7 n SER 100 Cb 0.39 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.71 0.15 4.04 1.04 -1.25 -1.60 113.70 115.37 1wg7 s SER 101 Ca 0.00 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.78 1wg7 s SER 101 Cb 0.00 1.38 -0.04 0.00 0.10 0.00 0.00 66.02 67.45 1wg7 s SER 101 CO 0.00 -0.25 0.34 -0.31 0.98 0.00 0.00 173.24 174.00 1wg7 s TYR 102 N 0.33 3.49 -0.49 5.02 1.51 -1.06 -4.65 117.35 121.50 1wg7 s TYR 102 Ca -0.00 0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 56.31 1wg7 s TYR 102 Cb -0.05 -1.84 0.12 0.00 -0.11 0.00 0.00 41.96 40.08 1wg7 s TYR 102 CO 0.01 0.45 0.37 -1.17 -1.11 0.00 0.00 175.55 174.10 1wg7 s LEU 103 N -2.98 5.74 0.22 -1.29 0.20 -1.26 -0.34 118.68 118.96 1wg7 s LEU 103 Ca 0.38 -1.96 0.00 0.00 0.69 0.00 0.00 54.13 53.25 1wg7 s LEU 103 Cb -0.12 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.58 1wg7 s LEU 103 CO 0.28 -0.69 0.40 -0.76 -0.29 0.00 0.00 176.35 175.29 1wg7 s LEU 104 N 1.30 4.22 -0.28 -0.68 1.02 0.95 0.28 118.68 125.49 1wg7 s LEU 104 Ca 0.06 0.36 -0.17 0.00 0.02 0.00 0.00 54.13 54.40 1wg7 s LEU 104 Cb -0.26 -3.14 0.10 0.00 0.02 0.00 0.00 46.19 42.92 1wg7 s LEU 104 CO -0.01 -0.07 0.81 0.00 0.02 0.00 0.00 176.35 177.10 1wg7 s ALA 105 N -1.93 -2.01 0.53 4.21 0.00 -1.01 0.32 121.76 121.87 1wg7 s ALA 105 Ca 0.38 2.30 0.08 0.00 0.00 0.00 0.00 51.96 54.72 1wg7 s ALA 105 Cb -0.11 -1.51 0.06 0.00 0.00 0.00 0.00 23.12 21.56 1wg7 s ALA 105 CO 0.30 -0.36 0.64 0.00 0.00 0.00 0.00 175.76 176.34 1wg7 s ALA 106 N 1.38 4.57 0.01 0.00 0.00 -0.72 -1.13 121.76 125.87 1wg7 s ALA 106 Ca -0.08 -1.88 0.05 0.00 0.00 0.00 0.00 51.96 50.05 1wg7 s ALA 106 Cb -0.05 -1.31 -0.24 0.00 0.00 0.00 0.00 23.12 21.53 1wg7 s ALA 106 CO -0.16 -0.63 0.86 -0.44 0.00 0.00 0.00 175.76 175.39 1wg7 h ASP 107 N 0.44 0.16 -3.49 0.00 3.32 -1.86 -3.43 116.42 111.55 1wg7 h ASP 107 Ca -0.34 -0.24 -0.49 0.00 0.02 0.00 0.00 57.03 55.97 1wg7 h ASP 107 Cb 1.29 -0.05 -0.17 0.00 0.22 0.00 0.00 39.33 40.62 1wg7 h ASP 107 CO 0.46 1.21 -0.77 -0.44 -1.72 0.00 0.00 179.24 177.98 1wg7 s SER 108 N -6.60 2.60 0.21 6.45 0.01 -1.26 -4.99 113.70 110.11 1wg7 s SER 108 Ca -0.06 -0.90 -0.11 0.00 1.31 0.00 0.00 55.95 56.19 1wg7 s SER 108 Cb 0.08 -0.15 0.27 0.00 0.21 0.00 0.00 66.02 66.43 1wg7 s SER 108 CO 0.83 -0.08 1.68 -0.08 0.41 0.00 0.00 173.24 176.00 1wg7 h GLU 109 N 3.09 0.14 0.14 12.44 4.81 -1.93 0.38 114.58 133.66 1wg7 h GLU 109 Ca -0.41 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1wg7 h GLU 109 Cb 1.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1wg7 h GLU 109 CO 0.54 0.09 -0.29 -0.24 -0.73 0.00 0.00 179.01 178.38 1wg7 h VAL 110 N 0.15 0.00 -0.46 0.32 3.04 -1.97 1.55 116.25 118.88 1wg7 h VAL 110 Ca 0.30 0.00 0.13 0.00 -1.01 0.00 0.00 66.70 66.13 1wg7 h VAL 110 Cb 0.47 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.74 1wg7 h VAL 110 CO -0.47 0.00 0.62 -0.33 -1.01 0.00 0.00 177.57 176.38 1wg7 h GLU 111 N -0.47 0.00 0.05 4.17 5.08 -1.83 1.70 114.58 123.29 1wg7 h GLU 111 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.05 1wg7 h GLU 111 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1wg7 h GLU 111 CO -0.12 0.00 -1.56 1.98 -1.00 0.00 0.00 179.01 178.31 1wg7 h MET 112 N 0.00 0.11 0.18 2.33 4.05 0.14 -3.33 114.93 118.42 1wg7 h MET 112 Ca 0.22 -0.20 -0.32 0.00 -0.28 0.00 0.00 59.70 59.12 1wg7 h MET 112 Cb 1.46 0.07 0.01 0.00 -0.80 0.00 0.00 31.60 32.35 1wg7 h MET 112 CO -0.00 0.87 -1.53 1.05 0.23 0.00 0.00 176.91 177.52 1wg7 h GLU 113 N 0.03 0.39 -0.26 0.39 4.11 0.96 -3.07 114.58 117.13 1wg7 h GLU 113 Ca -0.24 -0.67 0.04 0.00 0.07 0.00 0.00 59.36 58.56 1wg7 h GLU 113 Cb 1.98 0.25 -0.07 0.00 0.50 0.00 0.00 28.75 31.40 1wg7 h GLU 113 CO 0.12 1.29 -0.54 0.93 0.07 0.00 0.00 179.01 180.88 1wg7 h GLU 114 N 0.11 -0.48 0.18 1.06 5.08 0.19 0.24 114.58 120.96 1wg7 h GLU 114 Ca -0.26 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1wg7 h GLU 114 Cb 2.09 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.43 1wg7 h GLU 114 CO 0.21 -0.32 -0.16 -1.49 -1.00 0.00 0.00 179.01 176.25 1wg7 h TRP 115 N -0.50 -0.41 -1.18 4.33 4.06 -1.71 0.52 115.95 121.06 1wg7 h TRP 115 Ca 0.06 0.00 0.34 0.00 2.06 0.00 0.00 58.89 61.35 1wg7 h TRP 115 Cb 0.64 0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 28.91 1wg7 h TRP 115 CO -0.64 -0.24 1.06 0.82 -3.56 0.00 0.00 178.44 175.87 1wg7 h ILE 116 N -0.36 0.15 0.00 1.49 2.04 -1.18 1.08 117.51 120.74 1wg7 h ILE 116 Ca -0.00 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.65 1wg7 h ILE 116 Cb 0.33 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1wg7 h ILE 116 CO -0.03 0.00 -1.18 0.41 0.00 0.00 0.00 178.15 177.35 1wg7 n THR 117 N -3.68 1.52 0.06 -0.27 -1.04 0.74 -2.94 114.28 108.67 1wg7 n THR 117 Ca 0.26 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.16 1wg7 n THR 117 Cb 1.43 -2.09 -0.05 0.00 -1.82 0.00 0.00 70.33 67.80 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 -1.00 0.48 0.44 12.58 5.03 0.36 1.03 117.51 136.43 1wg7 h ILE 118 Ca -0.31 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.42 1wg7 h ILE 118 Cb 1.19 0.48 -0.02 0.00 -3.03 0.00 0.00 36.82 35.44 1wg7 h ILE 118 CO -0.19 0.00 -0.38 -0.07 -0.68 0.00 0.00 178.15 176.83 1wg7 h LEU 119 N -0.36 -1.03 -0.59 1.44 4.07 0.80 -1.48 115.31 118.17 1wg7 h LEU 119 Ca 0.06 0.08 0.12 0.00 0.08 0.00 0.00 57.88 58.22 1wg7 h LEU 119 Cb 0.43 0.33 -0.09 0.00 1.08 0.00 0.00 40.66 42.41 1wg7 h LEU 119 CO -0.20 -0.55 0.04 0.78 -1.08 0.00 0.00 178.44 177.44 1wg7 h ASN 120 N -0.83 -0.18 -0.01 -0.43 2.35 -1.36 0.35 115.58 115.47 1wg7 h ASN 120 Ca -0.04 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1wg7 h ASN 120 Cb 0.72 0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 1wg7 h ASN 120 CO -0.03 -0.07 -0.01 0.50 -1.65 0.00 0.00 177.43 176.16 1wg7 h LYS 121 N 0.16 -0.01 -1.01 0.81 1.63 0.17 1.55 116.57 119.87 1wg7 h LYS 121 Ca 0.31 0.00 0.23 0.00 -0.85 0.00 0.00 60.65 60.34 1wg7 h LYS 121 Cb 0.48 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.01 1wg7 h LYS 121 CO -0.47 -0.01 0.62 0.82 -3.45 0.00 0.00 179.45 176.96 1wg7 h ILE 122 N -0.01 0.61 -0.04 2.00 5.03 -0.80 1.98 117.51 126.28 1wg7 h ILE 122 Ca 0.00 -0.21 -0.04 0.00 -0.12 0.00 0.00 64.86 64.50 1wg7 h ILE 122 Cb 0.01 -0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 33.75 1wg7 h ILE 122 CO -0.01 0.11 -0.16 -0.07 -0.68 0.00 0.00 178.15 177.34 1wg7 h LEU 123 N 0.60 0.06 0.00 1.44 4.07 0.21 1.31 115.31 122.99 1wg7 h LEU 123 Ca 0.60 -0.01 -0.27 0.00 0.08 0.00 0.00 57.88 58.28 1wg7 h LEU 123 Cb 1.16 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.84 1wg7 h LEU 123 CO -0.38 0.23 -1.63 1.56 -1.08 0.00 0.00 178.44 177.14 1wg7 h GLN 124 N 0.06 0.00 0.00 1.13 1.08 1.26 -3.31 115.11 115.33 1wg7 h GLN 124 Ca 0.01 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.05 1wg7 h GLN 124 Cb 0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1wg7 h GLN 124 CO 0.02 0.49 -0.75 -0.07 -0.95 0.00 0.00 178.83 177.57 1wg7 h LEU 125 N 0.00 0.00 -1.33 1.46 3.38 0.31 -3.12 115.31 116.01 1wg7 h LEU 125 Ca -0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1wg7 h LEU 125 Cb 1.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1wg7 h LEU 125 CO 0.08 0.75 -0.31 0.78 0.09 0.00 0.00 178.44 179.83 1wg7 h ASN 126 N 0.00 0.04 -0.28 -0.43 2.35 0.16 0.18 115.58 117.60 1wg7 h ASN 126 Ca -0.01 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 1wg7 h ASN 126 Cb 1.56 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.91 1wg7 h ASN 126 CO 0.10 0.35 -0.38 0.15 -1.65 0.00 0.00 177.43 176.00 1wg7 h PHE 127 N 0.03 0.98 0.00 1.19 3.04 -1.63 -1.72 116.94 118.83 1wg7 h PHE 127 Ca 0.00 -0.28 -0.12 0.00 3.98 0.00 0.00 57.97 61.55 1wg7 h PHE 127 Cb 0.57 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 1wg7 h PHE 127 CO 0.00 1.07 -0.61 0.93 -2.02 0.00 0.00 178.31 177.68 1wg7 h GLU 128 N 0.68 0.00 -0.15 1.11 5.08 -1.47 -3.20 114.58 116.63 1wg7 h GLU 128 Ca 0.06 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1wg7 h GLU 128 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1wg7 h GLU 128 CO 0.09 0.55 -0.55 0.00 -1.00 0.00 0.00 179.01 178.10 1wg7 h ALA 129 N 1.43 0.79 -0.18 3.43 0.00 -0.49 -1.60 119.26 122.64 1wg7 h ALA 129 Ca -0.01 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wg7 h ALA 129 Cb 1.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1wg7 h ALA 129 CO 0.07 0.69 0.10 0.00 0.00 0.00 0.00 179.25 180.11 1wg7 h ALA 130 N 1.08 0.23 0.00 0.00 0.00 -1.31 0.21 119.26 119.46 1wg7 h ALA 130 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wg7 h ALA 130 Cb 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wg7 h ALA 130 CO 0.10 -0.25 0.00 0.52 0.00 0.00 0.00 179.25 179.61 1wg7 h MET 131 N 0.20 0.00 0.18 0.00 2.07 -1.56 0.06 114.93 115.89 1wg7 h MET 131 Ca 0.06 0.00 -0.31 0.00 -2.07 0.00 0.00 59.70 57.38 1wg7 h MET 131 Cb 0.05 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 29.80 1wg7 h MET 131 CO -0.01 0.00 -1.39 1.96 1.07 0.00 0.00 176.91 178.54 1wg7 h GLN 132 N 0.00 0.39 0.01 1.72 4.20 -0.28 -3.30 115.11 117.84 1wg7 h GLN 132 Ca 0.00 -0.67 -0.21 0.00 0.06 0.00 0.00 58.65 57.83 1wg7 h GLN 132 Cb 0.50 0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1wg7 h GLN 132 CO 0.00 1.31 -0.98 0.93 -0.67 0.00 0.00 178.83 179.42 1wg7 h GLU 133 N 0.11 0.02 -0.47 1.46 4.39 -0.33 -3.29 114.58 116.46 1wg7 h GLU 133 Ca -0.21 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.56 1wg7 h GLU 133 Cb 2.07 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 30.64 1wg7 h GLU 133 CO 0.23 0.98 -0.13 -0.22 -1.16 0.00 0.00 179.01 178.72 1wg7 h LYS 134 N 0.01 -0.01 -2.05 2.33 3.64 -1.07 0.34 116.57 119.76 1wg7 h LYS 134 Ca -0.02 0.00 -0.77 0.00 -1.27 0.00 0.00 60.65 58.59 1wg7 h LYS 134 Cb 1.73 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 33.28 1wg7 h LYS 134 CO 0.13 -0.01 1.01 0.54 -2.27 0.00 0.00 179.45 178.85 1wg7 n ARG 135 N -5.35 3.39 0.19 1.90 5.12 -1.24 -3.93 116.66 116.74 1wg7 n ARG 135 Ca 0.04 -3.82 0.00 0.00 -1.93 0.00 0.00 57.85 52.14 1wg7 n ARG 135 Cb 0.26 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 29.24 1wg7 n ARG 135 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1wg7 n ASN 136 N -0.43 -3.20 -2.69 0.55 5.15 -0.42 -5.02 115.26 109.20 1wg7 n ASN 136 Ca 0.52 0.73 -0.06 0.00 -0.60 0.00 0.00 54.58 55.16 1wg7 n ASN 136 Cb 0.25 3.07 0.08 0.00 -0.53 0.00 0.00 39.78 42.65 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 -1.17 0.29 3.70 8.20 0.00 0.10 -5.08 105.19 111.23 1wg7 n GLY 137 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1wg7 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wg7 s ASP 138 N -0.85 -0.05 -0.20 1.61 2.15 -0.09 -4.89 116.67 114.36 1wg7 s ASP 138 Ca 0.18 -0.18 -0.06 0.00 0.43 0.00 0.00 52.55 52.92 1wg7 s ASP 138 Cb 0.28 0.18 0.09 0.00 -0.30 0.00 0.00 42.92 43.18 1wg7 s ASP 138 CO -0.08 -0.34 0.41 -0.55 -0.17 0.00 0.00 175.17 174.43 1wg7 s SER 139 N -3.15 -0.18 -0.30 -0.34 0.15 -1.26 -4.11 113.70 104.51 1wg7 s SER 139 Ca 0.17 0.91 -0.15 0.00 0.70 0.00 0.00 55.95 57.58 1wg7 s SER 139 Cb 0.03 1.29 0.18 0.00 -1.71 0.00 0.00 66.02 65.81 1wg7 s SER 139 CO -0.03 -0.24 1.08 -2.28 1.20 0.00 0.00 173.24 172.98 1wg7 s HIS 140 N 2.60 -0.48 -0.16 3.44 5.04 -1.26 -5.05 115.29 119.42 1wg7 s HIS 140 Ca -0.00 0.71 -0.31 0.00 -1.54 0.00 0.00 55.06 53.92 1wg7 s HIS 140 Cb -0.12 0.24 0.14 0.00 0.04 0.00 0.00 32.58 32.88 1wg7 s HIS 140 CO -0.13 -0.25 1.08 -1.83 -2.34 0.00 0.00 174.74 171.27 1wg7 s GLU 141 N 2.52 0.49 0.00 2.88 -1.05 -1.26 -4.87 118.70 117.41 1wg7 s GLU 141 Ca -0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 1wg7 s GLU 141 Cb -0.06 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1wg7 s GLU 141 CO -0.15 -0.18 0.00 -0.25 0.95 0.00 0.00 175.26 175.63 1wg7 n ASP 142 N 0.35 0.00 -1.28 0.83 8.00 -1.26 -5.16 116.55 118.04 1wg7 n ASP 142 Ca -0.06 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.60 1wg7 n ASP 142 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 1wg7 n ASP 142 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wg7 n ASP 143 N 0.00 -7.34 0.00 -2.24 8.00 -1.26 -4.93 116.55 108.78 1wg7 n ASP 143 Ca 0.00 0.74 0.00 0.00 0.71 0.00 0.00 54.79 56.24 1wg7 n ASP 143 Cb 0.00 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 1wg7 n ASP 143 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1wg7 n GLU 144 N -3.85 0.00 0.00 -1.24 2.13 -1.26 -5.10 120.64 111.32 1wg7 n GLU 144 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1wg7 n GLU 144 Cb 0.65 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.36 1wg7 n GLU 144 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1wg7 n SER 145 N 0.00 0.00 -0.33 4.31 7.64 -1.26 -5.06 113.62 118.91 1wg7 n SER 145 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wg7 n SER 145 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wg7 n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg7 n GLY 146 N 0.00 0.37 0.43 0.23 0.00 -1.26 -5.12 105.19 99.84 1wg7 n GLY 146 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.11 -0.69 -1.38 1.61 -0.04 -1.26 -4.94 135.00 128.19 1wg7 n PRO 147 Ca 0.00 -0.22 0.16 0.00 -0.04 0.00 0.00 63.50 63.40 1wg7 n PRO 147 Cb 0.00 -0.17 -0.08 0.00 -0.04 0.00 0.00 33.50 33.21 1wg7 n PRO 147 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg7 n SER 148 N -3.16 -7.47 0.00 3.54 2.88 -1.26 -5.02 113.62 103.14 1wg7 n SER 148 Ca 0.02 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1wg7 n SER 148 Cb 0.07 -4.63 0.00 0.00 -0.75 0.00 0.00 64.21 58.89 1wg7 n SER 148 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wg7 n SER 149 N -4.29 0.00 -0.34 -3.46 2.88 -1.26 -5.27 113.62 101.89 1wg7 n SER 149 Ca -0.07 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.51 1wg7 n SER 149 Cb 0.65 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.14 1wg7 n SER 149 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42