#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 -0.02 0.05 1.61 1.04 -1.26 -5.18 113.70 109.94 1wg7 s SER 2 Ca 0.00 0.03 -0.15 0.00 0.48 0.00 0.00 55.95 56.31 1wg7 s SER 2 Cb 0.00 0.75 0.03 0.00 0.10 0.00 0.00 66.02 66.89 1wg7 s SER 2 CO 0.00 -0.00 0.35 -0.55 0.98 0.00 0.00 173.24 174.01 1wg7 s SER 3 N 0.74 -0.18 0.00 7.02 0.15 -1.26 -5.10 113.70 115.08 1wg7 s SER 3 Ca -0.04 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1wg7 s SER 3 Cb -0.03 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1wg7 s SER 3 CO -0.11 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1wg7 n GLY 4 N 0.46 -1.33 1.66 9.45 0.00 -1.26 -5.15 105.19 109.03 1wg7 n GLY 4 Ca -0.18 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -8.24 -3.53 1.61 7.64 -1.26 -5.08 113.62 104.76 1wg7 n SER 5 Ca 0.00 1.16 -0.00 0.00 1.01 0.00 0.00 58.87 61.03 1wg7 n SER 5 Cb 0.00 -4.25 -0.05 0.00 -1.01 0.00 0.00 64.21 58.89 1wg7 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg7 s SER 6 N -1.42 -0.53 0.00 6.43 1.04 -1.25 -5.12 113.70 112.85 1wg7 s SER 6 Ca 0.00 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1wg7 s SER 6 Cb 0.00 1.42 0.00 0.00 0.10 0.00 0.00 66.02 67.54 1wg7 s SER 6 CO 0.00 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1wg7 n GLY 7 N 4.29 0.16 3.19 7.32 0.00 -0.37 -4.56 105.19 115.22 1wg7 n GLY 7 Ca -0.14 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 1wg7 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg7 s ALA 8 N -1.00 1.07 0.47 4.61 0.00 -1.23 -3.88 121.76 121.80 1wg7 s ALA 8 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1wg7 s ALA 8 Cb 0.00 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1wg7 s ALA 8 CO 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 175.76 175.33 1wg7 n ALA 9 N -0.16 -1.80 -3.00 0.00 0.00 -1.24 -2.55 120.51 111.75 1wg7 n ALA 9 Ca -0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1wg7 n ALA 9 Cb 0.64 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.61 0.00 -4.79 0.00 2.88 -1.26 -1.30 113.62 107.54 1wg7 n SER 10 Ca 0.00 -0.36 -0.33 0.00 -1.33 0.00 0.00 58.87 56.86 1wg7 n SER 10 Cb 0.19 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.58 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 0.00 3.94 0.00 2.46 1.43 -1.26 -4.67 118.68 120.57 1wg7 s LEU 11 Ca 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1wg7 s LEU 11 Cb 0.00 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1wg7 s LEU 11 CO 0.00 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1wg7 n GLY 12 N 1.08 -0.37 2.76 -3.19 0.00 -1.26 -4.98 105.19 99.24 1wg7 n GLY 12 Ca -0.12 0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.26 -0.36 1.61 0.01 0.12 -4.97 113.70 109.85 1wg7 s SER 13 Ca 0.00 -0.12 -0.24 0.00 1.31 0.00 0.00 55.95 56.90 1wg7 s SER 13 Cb 0.00 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.61 1wg7 s SER 13 CO 0.00 -0.03 0.80 0.00 0.41 0.00 0.00 173.24 174.42 1wg7 s GLN 14 N 2.02 3.78 -0.47 12.44 -2.07 0.24 -4.43 119.66 131.17 1wg7 s GLN 14 Ca 0.15 0.37 0.06 0.00 -1.82 0.00 0.00 55.36 54.13 1wg7 s GLN 14 Cb 0.03 -3.80 0.20 0.00 -1.09 0.00 0.00 33.01 28.35 1wg7 s GLN 14 CO -0.16 -0.85 0.63 1.63 -1.32 0.00 0.00 175.29 175.23 1wg7 n LYS 15 N 6.45 0.50 0.00 9.60 5.02 -1.26 -4.99 118.16 133.47 1wg7 n LYS 15 Ca 0.04 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 1wg7 n LYS 15 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1wg7 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wg7 n GLY 16 N 2.55 2.46 0.00 0.72 0.00 -1.26 -5.10 105.19 104.57 1wg7 n GLY 16 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.31 3.50 -0.02 0.00 -1.26 -5.14 105.19 102.58 1wg7 n GLY 17 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.36 4.44 0.15 -0.61 1.01 -1.26 -5.08 121.20 119.49 1wg7 s ILE 18 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 1wg7 s ILE 18 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1wg7 s ILE 18 CO 0.00 0.37 0.30 0.42 0.00 0.00 0.00 174.94 176.03 1wg7 s THR 19 N 1.28 0.08 -0.15 2.92 -4.23 -1.26 -4.91 115.64 109.37 1wg7 s THR 19 Ca 0.05 -1.20 -0.33 0.00 -1.18 0.00 0.00 61.69 59.03 1wg7 s THR 19 Cb -0.15 -1.63 0.13 0.00 1.34 0.00 0.00 72.50 72.19 1wg7 s THR 19 CO 0.03 -0.36 1.13 -0.75 -0.54 0.00 0.00 174.62 174.13 1wg7 s LYS 20 N -3.92 0.43 -0.11 3.99 2.20 -1.26 -5.06 119.74 116.01 1wg7 s LYS 20 Ca 0.12 -0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.43 1wg7 s LYS 20 Cb 0.03 0.20 0.04 0.00 -1.51 0.00 0.00 37.83 36.59 1wg7 s LYS 20 CO -0.04 -0.18 0.43 -3.38 -0.36 0.00 0.00 175.35 171.82 1wg7 s HIS 21 N -2.42 -0.42 0.00 4.03 -3.43 -1.26 -2.70 115.29 109.09 1wg7 s HIS 21 Ca 0.08 0.92 0.00 0.00 -0.80 0.00 0.00 55.06 55.26 1wg7 s HIS 21 Cb -0.01 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 1wg7 s HIS 21 CO -0.05 -0.32 0.00 0.41 -2.00 0.00 0.00 174.74 172.78 1wg7 n GLY 22 N 2.18 1.62 3.59 -1.38 0.00 -1.23 -5.06 105.19 104.91 1wg7 n GLY 22 Ca -0.16 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 2.98 0.39 1.61 0.52 -1.26 -2.40 118.94 118.78 1wg7 s TRP 23 Ca 0.00 0.64 0.05 0.00 0.02 0.00 0.00 56.10 56.81 1wg7 s TRP 23 Cb 0.00 -3.88 0.05 0.00 -1.15 0.00 0.00 33.47 28.49 1wg7 s TRP 23 CO 0.00 -0.99 0.42 1.28 0.02 0.00 0.00 176.95 177.68 1wg7 n LEU 24 N 7.08 0.00 -3.76 2.99 4.77 -0.44 -4.69 117.00 122.95 1wg7 n LEU 24 Ca 0.08 -1.82 -0.30 0.00 -0.03 0.00 0.00 56.01 53.94 1wg7 n LEU 24 Cb 0.48 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.27 1wg7 n LEU 24 CO 0.62 -0.57 -0.25 -0.31 -1.33 0.00 0.00 177.39 175.55 1wg7 s TYR 25 N -1.64 2.19 0.59 -1.77 1.51 0.50 -1.95 117.35 116.77 1wg7 s TYR 25 Ca 0.32 -2.46 -0.15 0.00 -1.01 0.00 0.00 57.07 53.77 1wg7 s TYR 25 Cb -0.03 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1wg7 s TYR 25 CO 0.20 -0.80 1.04 0.21 -1.11 0.00 0.00 175.55 175.09 1wg7 s LYS 26 N 0.46 3.45 0.10 -0.62 2.20 -1.00 -2.40 119.74 121.93 1wg7 s LYS 26 Ca 0.16 1.07 -0.25 0.00 -0.36 0.00 0.00 55.97 56.59 1wg7 s LYS 26 Cb -0.24 -2.06 0.09 0.00 -1.51 0.00 0.00 37.83 34.11 1wg7 s LYS 26 CO -0.03 -0.69 1.11 0.20 -0.36 0.00 0.00 175.35 175.58 1wg7 s GLY 27 N -3.11 -0.10 -0.22 5.54 0.00 -0.29 -3.49 107.32 105.65 1wg7 s GLY 27 Ca 0.61 0.02 -0.04 0.00 0.00 0.00 0.00 44.72 45.31 1wg7 s GLY 27 CO 0.39 2.02 -0.04 0.54 0.00 0.00 0.00 173.10 176.02 1wg7 s ASN 28 N -3.30 4.33 0.54 1.64 4.22 -1.24 -2.20 114.94 118.93 1wg7 s ASN 28 Ca 0.20 -0.40 -0.19 0.00 -2.14 0.00 0.00 52.86 50.32 1wg7 s ASN 28 Cb -0.01 -1.74 -0.06 0.00 1.28 0.00 0.00 41.25 40.72 1wg7 s ASN 28 CO 0.02 -0.03 1.09 -0.32 -2.04 0.00 0.00 177.10 175.82 1wg7 s MET 29 N 1.48 3.46 0.00 3.55 1.75 -1.26 -3.96 119.30 124.32 1wg7 s MET 29 Ca 0.06 1.45 0.00 0.00 -1.25 0.00 0.00 55.69 55.95 1wg7 s MET 29 Cb -0.14 -2.04 0.00 0.00 2.84 0.00 0.00 34.83 35.49 1wg7 s MET 29 CO -0.03 -0.73 0.00 -1.71 -0.65 0.00 0.00 175.02 171.90 1wg7 n ASN 30 N -1.38 0.00 -0.18 1.11 5.15 -1.26 -4.83 115.26 113.88 1wg7 n ASN 30 Ca 0.10 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.97 1wg7 n ASN 30 Cb 0.52 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.68 1wg7 n ASN 30 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1wg7 h SER 31 N 0.00 -1.65 -2.08 1.20 0.02 -1.99 -3.37 113.55 105.68 1wg7 h SER 31 Ca 0.00 0.22 -0.58 0.00 -0.84 0.00 0.00 61.79 60.60 1wg7 h SER 31 Cb 0.00 0.69 0.01 0.00 0.14 0.00 0.00 62.40 63.24 1wg7 h SER 31 CO 0.00 -0.31 1.30 0.00 -1.14 0.00 0.00 176.83 176.68 1wg7 n ALA 32 N -3.07 1.47 0.02 3.77 0.00 -1.26 -4.84 120.51 116.60 1wg7 n ALA 32 Ca -0.02 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1wg7 n ALA 32 Cb 0.27 -2.71 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 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 6.17 1.00 -1.21 0.00 6.09 -1.98 1.09 117.51 128.67 1wg7 h ILE 33 Ca -0.45 -0.02 0.35 0.00 -1.37 0.00 0.00 64.86 63.38 1wg7 h ILE 33 Cb 1.25 0.95 -0.10 0.00 0.47 0.00 0.00 36.82 39.40 1wg7 h ILE 33 CO 0.95 0.01 0.80 0.28 -3.07 0.00 0.00 178.15 177.12 1wg7 h SER 34 N 0.04 0.28 0.02 2.19 0.02 -1.93 0.14 113.55 114.33 1wg7 h SER 34 Ca 0.02 0.09 -0.21 0.00 -0.84 0.00 0.00 61.79 60.84 1wg7 h SER 34 Cb 0.00 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1wg7 h SER 34 CO -0.01 -0.03 -1.15 0.58 -1.14 0.00 0.00 176.83 175.08 1wg7 h VAL 35 N 0.20 1.04 -0.99 2.27 2.07 -1.62 -2.95 116.25 116.28 1wg7 h VAL 35 Ca 0.69 -2.24 0.35 0.00 0.82 0.00 0.00 66.70 66.32 1wg7 h VAL 35 Cb 2.12 2.48 -0.17 0.00 -1.52 0.00 0.00 31.29 34.20 1wg7 h VAL 35 CO -0.28 0.45 0.44 0.00 0.02 0.00 0.00 177.57 178.19 1wg7 h THR 36 N -0.83 0.12 0.03 2.57 1.03 0.34 0.22 112.91 116.39 1wg7 h THR 36 Ca -0.30 -0.04 -0.06 0.00 -0.01 0.00 0.00 66.41 66.00 1wg7 h THR 36 Cb 1.37 -0.00 0.01 0.00 -1.07 0.00 0.00 68.15 68.46 1wg7 h THR 36 CO -0.12 0.02 -0.27 0.24 -0.01 0.00 0.00 175.52 175.38 1wg7 h MET 37 N 0.11 0.12 -6.92 0.00 2.86 -0.98 -3.29 114.93 106.84 1wg7 h MET 37 Ca 0.75 -0.18 -0.58 0.00 -2.06 0.00 0.00 59.70 57.63 1wg7 h MET 37 Cb 1.82 0.06 -0.19 0.00 0.06 0.00 0.00 31.60 33.36 1wg7 h MET 37 CO -0.74 1.02 -0.93 0.54 1.06 0.00 0.00 176.91 177.86 1wg7 n ARG 38 N -4.47 -1.71 -3.19 1.72 5.12 0.76 -1.70 116.66 113.20 1wg7 n ARG 38 Ca -0.11 0.20 -0.05 0.00 -1.93 0.00 0.00 57.85 55.96 1wg7 n ARG 38 Cb 0.56 -4.07 0.00 0.00 -1.16 0.00 0.00 32.46 27.79 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 -2.85 -7.27 -4.39 0.55 7.64 -1.26 -4.82 113.62 101.21 1wg7 n SER 39 Ca -0.25 -0.21 -0.47 0.00 1.01 0.00 0.00 58.87 58.96 1wg7 n SER 39 Cb 0.65 -4.65 -0.03 0.00 -1.01 0.00 0.00 64.21 59.18 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 -1.85 -0.62 -4.39 1.43 3.01 -0.69 -4.97 117.46 109.38 1wg7 n PHE 40 Ca -0.05 0.93 -0.23 0.00 1.01 0.00 0.00 57.45 59.10 1wg7 n PHE 40 Cb 0.53 -1.95 -0.13 0.00 -0.01 0.00 0.00 39.48 37.93 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 -1.01 1.15 -0.22 -1.08 -0.14 -1.23 -5.06 119.74 112.15 1wg7 s LYS 41 Ca 0.63 -1.03 -0.05 0.00 -1.36 0.00 0.00 55.97 54.17 1wg7 s LYS 41 Cb -0.90 -1.31 -0.02 0.00 -1.68 0.00 0.00 37.83 33.92 1wg7 s LYS 41 CO 0.57 0.32 -0.00 0.50 -0.76 0.00 0.00 175.35 175.97 1wg7 s ARG 42 N -1.58 3.53 0.19 1.68 3.52 -1.26 -2.37 118.95 122.67 1wg7 s ARG 42 Ca 0.05 -0.55 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1wg7 s ARG 42 Cb -0.09 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.16 1wg7 s ARG 42 CO 0.03 -0.10 -0.07 1.03 -0.81 0.00 0.00 175.30 175.38 1wg7 s ARG 43 N 1.28 1.23 -0.54 5.12 0.52 -0.82 -4.95 118.95 120.79 1wg7 s ARG 43 Ca 0.04 -1.57 -0.23 0.00 -0.52 0.00 0.00 55.73 53.44 1wg7 s ARG 43 Cb -0.15 -0.72 0.04 0.00 0.52 0.00 0.00 34.95 34.64 1wg7 s ARG 43 CO 0.00 0.03 0.88 0.12 0.02 0.00 0.00 175.30 176.36 1wg7 s PHE 44 N -3.29 2.85 -0.40 -0.53 5.36 -0.90 -1.33 117.98 119.74 1wg7 s PHE 44 Ca 0.22 -0.08 -0.19 0.00 -0.96 0.00 0.00 56.93 55.93 1wg7 s PHE 44 Cb 0.03 -3.97 0.01 0.00 -0.34 0.00 0.00 43.02 38.76 1wg7 s PHE 44 CO 0.05 -1.28 0.54 -0.06 -1.46 0.00 0.00 175.22 173.01 1wg7 s PHE 45 N 3.70 3.14 -0.03 10.12 0.40 -1.01 -0.41 117.98 133.89 1wg7 s PHE 45 Ca 0.28 -0.05 -0.00 0.00 -0.60 0.00 0.00 56.93 56.56 1wg7 s PHE 45 Cb -0.14 -3.06 -0.04 0.00 0.51 0.00 0.00 43.02 40.30 1wg7 s PHE 45 CO 0.18 -0.70 0.03 -1.58 0.70 0.00 0.00 175.22 173.85 1wg7 s HIS 46 N 2.47 3.18 -0.16 0.36 5.65 0.51 -3.50 115.29 123.80 1wg7 s HIS 46 Ca 0.18 0.17 -0.07 0.00 0.25 0.00 0.00 55.06 55.59 1wg7 s HIS 46 Cb -0.15 -1.73 -0.04 0.00 -1.18 0.00 0.00 32.58 29.47 1wg7 s HIS 46 CO 0.15 0.50 0.08 -1.17 -0.65 0.00 0.00 174.74 173.66 1wg7 s LEU 47 N -1.38 3.99 -0.01 8.88 2.96 -1.10 0.27 118.68 132.29 1wg7 s LEU 47 Ca 0.18 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1wg7 s LEU 47 Cb -0.12 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 1wg7 s LEU 47 CO 0.09 0.26 0.04 -0.51 -1.32 0.00 0.00 176.35 174.90 1wg7 s ILE 48 N -0.14 0.03 -0.21 6.68 2.07 -0.74 -4.68 121.20 124.20 1wg7 s ILE 48 Ca 0.08 -0.28 -0.16 0.00 -1.41 0.00 0.00 60.65 58.89 1wg7 s ILE 48 Cb -0.12 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 1wg7 s ILE 48 CO 0.01 -0.15 0.39 -1.58 -1.91 0.00 0.00 174.94 171.70 1wg7 s GLN 49 N -0.45 4.15 1.29 3.50 0.74 -1.26 -0.52 119.66 127.10 1wg7 s GLN 49 Ca -0.05 0.17 -0.17 0.00 0.05 0.00 0.00 55.36 55.36 1wg7 s GLN 49 Cb -0.03 -3.56 0.32 0.00 1.10 0.00 0.00 33.01 30.84 1wg7 s GLN 49 CO -0.00 -0.08 0.90 1.28 -0.55 0.00 0.00 175.29 176.85 1wg7 n LEU 50 N 4.61 -1.44 -3.36 3.68 7.99 -0.45 -4.82 117.00 123.21 1wg7 n LEU 50 Ca -0.08 -0.43 -0.39 0.00 -0.01 0.00 0.00 56.01 55.09 1wg7 n LEU 50 Cb 0.51 -1.14 -0.02 0.00 -0.11 0.00 0.00 43.42 42.66 1wg7 n LEU 50 CO 0.39 -3.79 2.95 0.61 -1.51 0.00 0.00 177.39 176.05 1wg7 n GLY 51 N 1.42 4.65 1.81 -0.72 0.00 -1.26 -3.88 105.19 107.21 1wg7 n GLY 51 Ca 0.06 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1wg7 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wg7 n ASP 52 N 2.75 -2.84 0.00 1.61 8.00 -1.26 -4.94 116.55 119.87 1wg7 n ASP 52 Ca 0.71 0.67 0.00 0.00 0.71 0.00 0.00 54.79 56.89 1wg7 n ASP 52 Cb 0.25 2.78 0.00 0.00 -0.02 0.00 0.00 41.12 44.13 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wg7 n GLY 53 N -1.43 0.34 3.46 0.44 0.00 -1.25 0.80 105.19 107.55 1wg7 n GLY 53 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 0.57 0.14 1.61 0.15 -1.26 -4.77 113.70 110.14 1wg7 s SER 54 Ca 0.00 1.26 0.06 0.00 0.70 0.00 0.00 55.95 57.96 1wg7 s SER 54 Cb 0.00 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1wg7 s SER 54 CO 0.00 -4.42 -0.13 -0.31 1.20 0.00 0.00 173.24 169.58 1wg7 s TYR 55 N -2.49 1.39 -0.08 3.44 2.02 -1.26 -1.34 117.35 119.02 1wg7 s TYR 55 Ca 0.68 -0.62 -0.03 0.00 -0.37 0.00 0.00 57.07 56.73 1wg7 s TYR 55 Cb -0.21 -0.71 0.04 0.00 -0.40 0.00 0.00 41.96 40.69 1wg7 s TYR 55 CO 0.62 0.15 0.16 -0.80 -1.57 0.00 0.00 175.55 174.12 1wg7 s ASN 56 N -2.77 0.28 -0.56 2.29 0.01 0.32 -3.76 114.94 110.76 1wg7 s ASN 56 Ca 0.13 0.34 -0.20 0.00 -0.71 0.00 0.00 52.86 52.41 1wg7 s ASN 56 Cb -0.02 0.26 0.07 0.00 0.41 0.00 0.00 41.25 41.96 1wg7 s ASN 56 CO 0.03 -0.20 0.75 -0.22 -1.51 0.00 0.00 177.10 175.95 1wg7 s LEU 57 N 1.72 4.84 0.14 0.60 2.96 -1.19 -1.80 118.68 125.95 1wg7 s LEU 57 Ca -0.03 -0.95 -0.06 0.00 -0.22 0.00 0.00 54.13 52.87 1wg7 s LEU 57 Cb -0.12 -2.47 -0.06 0.00 0.50 0.00 0.00 46.19 44.04 1wg7 s LEU 57 CO -0.06 -1.08 0.39 0.54 -1.32 0.00 0.00 176.35 174.82 1wg7 s ASN 58 N 3.08 6.52 -0.06 3.68 2.20 0.14 -0.79 114.94 129.72 1wg7 s ASN 58 Ca 0.18 0.64 0.03 0.00 -0.94 0.00 0.00 52.86 52.77 1wg7 s ASN 58 Cb -0.19 -2.11 0.00 0.00 -2.00 0.00 0.00 41.25 36.95 1wg7 s ASN 58 CO 0.12 0.06 -0.15 0.72 -2.94 0.00 0.00 177.10 174.90 1wg7 s PHE 59 N -1.63 1.65 0.44 1.54 -0.71 -1.25 0.19 117.98 118.21 1wg7 s PHE 59 Ca 0.40 -0.55 0.06 0.00 -1.04 0.00 0.00 56.93 55.81 1wg7 s PHE 59 Cb -0.12 -1.15 -0.04 0.00 -1.21 0.00 0.00 43.02 40.50 1wg7 s PHE 59 CO 0.23 -0.23 0.17 0.71 -1.34 0.00 0.00 175.22 174.76 1wg7 s TYR 60 N 0.30 2.42 0.10 3.49 1.51 0.45 -1.02 117.35 124.61 1wg7 s TYR 60 Ca -0.09 -0.66 0.28 0.00 -1.01 0.00 0.00 57.07 55.59 1wg7 s TYR 60 Cb -0.13 -1.90 1.10 0.00 -0.11 0.00 0.00 41.96 40.91 1wg7 s TYR 60 CO 0.03 0.15 1.89 1.57 -1.11 0.00 0.00 175.55 178.08 1wg7 h LYS 61 N 1.38 0.00 0.00 -0.62 2.10 -1.90 -2.38 116.57 115.15 1wg7 h LYS 61 Ca -0.42 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.06 1wg7 h LYS 61 Cb 1.26 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.56 1wg7 h LYS 61 CO 0.70 0.11 -0.06 -0.25 -2.00 0.00 0.00 179.45 177.96 1wg7 n ASP 62 N -3.25 -0.95 0.41 7.07 8.00 -1.26 -4.68 116.55 121.89 1wg7 n ASP 62 Ca 0.00 -2.20 -0.18 0.00 0.71 0.00 0.00 54.79 53.12 1wg7 n ASP 62 Cb 0.38 1.74 -0.09 0.00 -0.02 0.00 0.00 41.12 43.13 1wg7 n ASP 62 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wg7 h GLU 63 N 0.00 -1.00 -5.49 -1.24 5.08 -1.91 -3.42 114.58 106.60 1wg7 h GLU 63 Ca -0.18 0.07 -0.68 0.00 -1.00 0.00 0.00 59.36 57.57 1wg7 h GLU 63 Cb 0.77 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 1wg7 h GLU 63 CO 0.24 -0.66 1.32 1.63 -1.00 0.00 0.00 179.01 180.54 1wg7 n LYS 64 N -5.51 0.00 0.00 2.33 5.02 -1.26 -4.86 118.16 113.88 1wg7 n LYS 64 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1wg7 n LYS 64 Cb 0.42 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1wg7 n LYS 64 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1wg7 n ILE 65 N 6.29 0.00 0.00 -0.18 -5.35 -1.26 -4.77 119.36 114.09 1wg7 n ILE 65 Ca 0.54 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.02 1wg7 n ILE 65 Cb -0.03 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 1wg7 n ILE 65 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1wg7 n SER 66 N 0.00 0.00 -3.10 7.28 2.88 -1.26 -4.90 113.62 114.52 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 -1.35 -2.80 -1.46 4.76 -1.26 -4.91 118.16 111.14 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 -2.47 4.28 0.99 1.97 2.02 -1.26 -5.04 118.70 119.18 1wg7 s GLU 68 Ca 0.00 1.14 -0.17 0.00 0.02 0.00 0.00 54.97 55.96 1wg7 s GLU 68 Cb 0.00 -3.60 0.24 0.00 0.10 0.00 0.00 34.13 30.87 1wg7 s GLU 68 CO 0.00 -0.44 1.09 -0.35 0.02 0.00 0.00 175.26 175.58 1wg7 n PRO 69 N 5.63 -2.03 0.13 0.39 -0.04 -1.26 -4.97 135.00 132.84 1wg7 n PRO 69 Ca 0.07 -1.71 0.06 0.00 -0.04 0.00 0.00 63.50 61.89 1wg7 n PRO 69 Cb 0.48 -1.35 0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1wg7 n PRO 69 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1wg7 h LYS 70 N 0.00 0.00 0.00 0.54 1.79 -1.45 -3.49 116.57 113.96 1wg7 h LYS 70 Ca -0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1wg7 h LYS 70 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1wg7 h LYS 70 CO 0.26 0.23 0.00 0.41 -1.08 0.00 0.00 179.45 179.27 1wg7 n GLY 71 N 1.22 -0.94 0.00 3.86 0.00 -1.25 -5.03 105.19 103.04 1wg7 n GLY 71 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1wg7 n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg7 n SER 72 N 0.00 0.00 -4.50 1.61 2.88 -1.26 -3.94 113.62 108.40 1wg7 n SER 72 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1wg7 n SER 72 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1wg7 n SER 72 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wg7 s ILE 73 N -2.00 4.44 -1.19 2.46 1.01 0.03 -4.92 121.20 121.04 1wg7 s ILE 73 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.31 1wg7 s ILE 73 Cb 0.00 -3.05 0.06 0.00 0.01 0.00 0.00 42.46 39.47 1wg7 s ILE 73 CO 0.00 0.37 1.65 -0.36 0.00 0.00 0.00 174.94 176.60 1wg7 s PHE 74 N 1.24 2.65 -0.03 3.97 0.40 -1.26 -3.14 117.98 121.80 1wg7 s PHE 74 Ca 0.05 -1.25 0.28 0.00 -0.60 0.00 0.00 56.93 55.41 1wg7 s PHE 74 Cb -0.14 -4.70 1.44 0.00 0.51 0.00 0.00 43.02 40.12 1wg7 s PHE 74 CO 0.03 -1.83 1.85 -0.07 0.70 0.00 0.00 175.22 175.90 1wg7 h LEU 75 N 12.92 0.00 -1.31 -0.37 3.38 -1.93 0.47 115.31 128.47 1wg7 h LEU 75 Ca 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 1wg7 h LEU 75 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1wg7 h LEU 75 CO 1.44 0.00 -0.23 -2.24 0.09 0.00 0.00 178.44 177.49 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 2.03 -1.85 -3.16 116.42 113.00 1wg7 h ASP 76 Ca 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 1wg7 h ASP 76 Cb 0.10 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.58 1wg7 h ASP 76 CO 0.00 0.23 -1.57 -1.20 -1.03 0.00 0.00 179.24 175.67 1wg7 n SER 77 N -3.52 2.74 -4.63 4.15 7.64 0.43 -5.00 113.62 115.42 1wg7 n SER 77 Ca -0.01 0.00 -0.61 0.00 1.01 0.00 0.00 58.87 59.27 1wg7 n SER 77 Cb 0.39 0.95 -0.08 0.00 -1.01 0.00 0.00 64.21 64.46 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 4.62 0.51 0.00 0.00 2.86 0.21 -3.47 114.93 119.66 1wg7 h MET 79 Ca -0.47 -0.68 0.00 0.00 -2.06 0.00 0.00 59.70 56.49 1wg7 h MET 79 Cb 1.38 0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.26 1wg7 h MET 79 CO 0.83 1.29 0.00 0.41 1.06 0.00 0.00 176.91 180.50 1wg7 n GLY 80 N 1.37 -0.67 3.66 8.32 0.00 -1.15 -4.98 105.19 111.74 1wg7 n GLY 80 Ca -0.13 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 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 4.52 0.30 1.61 1.01 -1.26 -1.02 120.40 123.56 1wg7 s VAL 81 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 61.98 61.93 1wg7 s VAL 81 Cb 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1wg7 s VAL 81 CO 0.00 0.54 -0.10 0.68 0.00 0.00 0.00 175.10 176.22 1wg7 s VAL 82 N -0.28 2.64 -0.14 2.92 -7.23 0.78 -4.96 120.40 114.13 1wg7 s VAL 82 Ca 0.07 -2.18 -0.02 0.00 -1.81 0.00 0.00 61.98 58.03 1wg7 s VAL 82 Cb -0.12 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1wg7 s VAL 82 CO 0.02 -0.31 -0.07 -1.10 -0.31 0.00 0.00 175.10 173.33 1wg7 s GLN 83 N -3.60 3.53 0.00 4.82 -0.21 -1.26 -1.06 119.66 121.88 1wg7 s GLN 83 Ca 0.32 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.13 1wg7 s GLN 83 Cb -0.03 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.18 1wg7 s GLN 83 CO 0.17 0.26 0.00 0.09 -2.12 0.00 0.00 175.29 173.69 1wg7 n ASN 84 N 3.45 0.00 0.00 5.90 4.13 0.03 -4.92 115.26 123.84 1wg7 n ASN 84 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 1wg7 n ASN 84 Cb 0.53 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 1wg7 n ASN 84 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1wg7 n ASN 85 N -0.42 0.00 0.21 6.41 5.15 -1.24 -4.83 115.26 120.53 1wg7 n ASN 85 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 1wg7 n ASN 85 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1wg7 h LYS 86 N 0.81 -0.54 0.00 1.20 1.79 -1.92 -3.36 116.57 114.54 1wg7 h LYS 86 Ca 0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1wg7 h LYS 86 Cb 0.00 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1wg7 h LYS 86 CO 0.00 -0.36 0.00 0.28 -1.08 0.00 0.00 179.45 178.29 1wg7 n VAL 87 N -4.12 0.00 -4.24 0.50 0.31 -1.26 -4.88 118.33 104.65 1wg7 n VAL 87 Ca -0.07 1.13 -0.14 0.00 -0.01 0.00 0.00 64.34 65.25 1wg7 n VAL 87 Cb 0.22 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 1wg7 n VAL 87 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1wg7 n ARG 88 N -1.36 0.42 -2.59 5.55 1.85 -1.26 -5.11 116.66 114.16 1wg7 n ARG 88 Ca 0.00 -2.22 -0.42 0.00 -1.00 0.00 0.00 57.85 54.22 1wg7 n ARG 88 Cb 0.00 1.59 -0.03 0.00 -1.05 0.00 0.00 32.46 32.97 1wg7 n ARG 88 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1wg7 s ARG 89 N -2.94 4.56 -0.42 2.89 0.52 -1.26 -3.93 118.95 118.37 1wg7 s ARG 89 Ca 0.22 1.58 -0.16 0.00 -0.52 0.00 0.00 55.73 56.85 1wg7 s ARG 89 Cb 0.01 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 32.13 1wg7 s ARG 89 CO 0.15 -0.03 0.55 1.19 0.02 0.00 0.00 175.30 177.18 1wg7 n PHE 90 N 3.38 -3.49 -3.72 -0.53 3.72 -1.26 -4.72 117.46 110.83 1wg7 n PHE 90 Ca 0.05 1.42 -0.12 0.00 -0.05 0.00 0.00 57.45 58.76 1wg7 n PHE 90 Cb 0.48 -3.97 -0.13 0.00 -0.94 0.00 0.00 39.48 34.93 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 -2.46 -0.66 -0.00 4.37 0.00 -1.26 -2.36 121.76 119.38 1wg7 s ALA 91 Ca 0.23 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1wg7 s ALA 91 Cb -0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1wg7 s ALA 91 CO 0.77 -0.21 -0.12 -0.59 0.00 0.00 0.00 175.76 175.61 1wg7 s PHE 92 N 1.29 1.12 -0.06 0.00 -0.71 0.98 -0.79 117.98 119.81 1wg7 s PHE 92 Ca -0.09 -0.23 -0.06 0.00 -1.04 0.00 0.00 56.93 55.51 1wg7 s PHE 92 Cb -0.10 -0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 1wg7 s PHE 92 CO -0.09 -0.01 0.19 -2.00 -1.34 0.00 0.00 175.22 171.96 1wg7 s GLU 93 N -0.40 3.49 -0.57 1.99 2.12 -0.22 -0.22 118.70 124.89 1wg7 s GLU 93 Ca 0.04 -0.14 -0.13 0.00 0.36 0.00 0.00 54.97 55.10 1wg7 s GLU 93 Cb -0.05 -3.14 0.14 0.00 0.26 0.00 0.00 34.13 31.34 1wg7 s GLU 93 CO -0.00 0.72 0.50 -0.51 -0.54 0.00 0.00 175.26 175.43 1wg7 s LEU 94 N -1.42 6.12 0.10 2.70 2.01 0.03 -0.16 118.68 128.06 1wg7 s LEU 94 Ca 0.21 -2.01 -0.31 0.00 0.01 0.00 0.00 54.13 52.04 1wg7 s LEU 94 Cb -0.13 -2.15 -0.08 0.00 0.01 0.00 0.00 46.19 43.85 1wg7 s LEU 94 CO 0.11 -0.75 1.51 -0.54 1.01 0.00 0.00 176.35 177.68 1wg7 s LYS 95 N 1.25 4.25 0.50 1.70 -0.14 -0.19 -2.69 119.74 124.42 1wg7 s LYS 95 Ca 0.07 2.20 0.06 0.00 -1.36 0.00 0.00 55.97 56.94 1wg7 s LYS 95 Cb -0.25 -3.36 0.01 0.00 -1.68 0.00 0.00 37.83 32.54 1wg7 s LYS 95 CO -0.00 -0.58 0.35 -1.64 -0.76 0.00 0.00 175.35 172.72 1wg7 s MET 96 N 1.72 2.30 -0.01 1.68 -1.94 -0.62 0.20 119.30 122.63 1wg7 s MET 96 Ca 0.68 -1.90 0.08 0.00 -1.71 0.00 0.00 55.69 52.84 1wg7 s MET 96 Cb -0.39 -2.12 -0.12 0.00 2.01 0.00 0.00 34.83 34.22 1wg7 s MET 96 CO 0.30 -0.44 0.25 0.00 -0.01 0.00 0.00 175.02 175.12 1wg7 n GLN 97 N -1.62 1.74 -0.62 2.03 10.64 -1.16 -4.45 117.38 123.94 1wg7 n GLN 97 Ca -0.01 -0.05 -0.05 0.00 -1.83 0.00 0.00 57.00 55.07 1wg7 n GLN 97 Cb 0.64 -1.09 0.17 0.00 -0.86 0.00 0.00 30.24 29.11 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 -1.57 3.62 -2.38 2.61 8.00 -1.26 -4.92 116.55 120.64 1wg7 n ASP 98 Ca -0.00 -2.74 -0.01 0.00 0.71 0.00 0.00 54.79 52.75 1wg7 n ASP 98 Cb 0.19 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 40.63 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wg7 n LYS 99 N -0.04 -2.79 0.00 -1.24 5.02 -1.26 -5.07 118.16 112.78 1wg7 n LYS 99 Ca 0.25 2.32 0.00 0.00 -2.02 0.00 0.00 58.31 58.87 1wg7 n LYS 99 Cb 0.99 -4.22 0.00 0.00 -0.02 0.00 0.00 35.03 31.79 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 0.68 0.00 -3.64 4.39 3.41 -1.26 -5.05 113.62 112.16 1wg7 n SER 100 Ca -0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.45 1wg7 n SER 100 Cb 0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.70 -0.29 4.04 1.04 -1.26 -1.59 113.70 114.95 1wg7 s SER 101 Ca 0.00 1.24 -0.11 0.00 0.48 0.00 0.00 55.95 57.56 1wg7 s SER 101 Cb 0.00 1.27 -0.05 0.00 0.10 0.00 0.00 66.02 67.34 1wg7 s SER 101 CO 0.00 -0.21 0.19 -0.31 0.98 0.00 0.00 173.24 173.90 1wg7 s TYR 102 N 0.82 3.22 -0.85 5.02 2.02 -1.09 -4.69 117.35 121.79 1wg7 s TYR 102 Ca -0.03 0.06 -0.23 0.00 -0.37 0.00 0.00 57.07 56.50 1wg7 s TYR 102 Cb -0.05 -2.38 0.07 0.00 -0.40 0.00 0.00 41.96 39.20 1wg7 s TYR 102 CO -0.09 -0.19 1.20 -1.17 -1.57 0.00 0.00 175.55 173.74 1wg7 s LEU 103 N 1.75 4.07 0.36 -1.29 2.96 -0.94 -0.79 118.68 124.80 1wg7 s LEU 103 Ca 0.07 -1.28 -0.03 0.00 -0.22 0.00 0.00 54.13 52.67 1wg7 s LEU 103 Cb -0.16 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 1wg7 s LEU 103 CO 0.11 -1.44 0.60 -0.76 -1.32 0.00 0.00 176.35 173.54 1wg7 s LEU 104 N 4.30 3.94 -0.28 -0.68 1.43 0.69 -1.14 118.68 126.94 1wg7 s LEU 104 Ca 0.34 0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 53.92 1wg7 s LEU 104 Cb -0.07 -3.51 0.10 0.00 0.03 0.00 0.00 46.19 42.73 1wg7 s LEU 104 CO 0.00 -0.32 0.77 0.00 0.23 0.00 0.00 176.35 177.03 1wg7 s ALA 105 N -2.33 -1.99 0.38 4.21 0.00 -1.01 -0.02 121.76 121.01 1wg7 s ALA 105 Ca 0.43 2.36 0.07 0.00 0.00 0.00 0.00 51.96 54.82 1wg7 s ALA 105 Cb -0.10 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1wg7 s ALA 105 CO 0.36 -0.37 0.52 0.00 0.00 0.00 0.00 175.76 176.27 1wg7 s ALA 106 N 1.53 4.39 0.09 0.00 0.00 -0.99 -0.37 121.76 126.41 1wg7 s ALA 106 Ca -0.09 -1.58 0.11 0.00 0.00 0.00 0.00 51.96 50.40 1wg7 s ALA 106 Cb -0.05 -1.64 0.08 0.00 0.00 0.00 0.00 23.12 21.51 1wg7 s ALA 106 CO -0.18 -0.17 1.44 0.22 0.00 0.00 0.00 175.76 177.07 1wg7 h ASP 107 N 0.76 0.00 -4.47 0.00 1.82 -1.87 -3.44 116.42 109.22 1wg7 h ASP 107 Ca -0.43 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 55.90 1wg7 h ASP 107 Cb 1.27 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 41.09 1wg7 h ASP 107 CO 0.49 0.73 -0.73 -0.44 -1.61 0.00 0.00 179.24 177.67 1wg7 s SER 108 N -6.64 1.35 0.27 2.28 0.01 -1.26 -5.02 113.70 104.70 1wg7 s SER 108 Ca 0.01 -0.76 -0.00 0.00 1.31 0.00 0.00 55.95 56.51 1wg7 s SER 108 Cb 0.10 0.01 0.62 0.00 0.21 0.00 0.00 66.02 66.96 1wg7 s SER 108 CO 0.77 -0.25 1.66 1.05 0.41 0.00 0.00 173.24 176.89 1wg7 h GLU 109 N 3.75 0.24 0.42 12.44 4.11 -1.95 0.11 114.58 133.71 1wg7 h GLU 109 Ca -0.37 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.03 1wg7 h GLU 109 Cb 1.19 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1wg7 h GLU 109 CO 0.50 0.16 -0.44 -0.24 0.07 0.00 0.00 179.01 179.07 1wg7 h VAL 110 N 0.25 0.00 0.00 -1.06 3.04 -1.97 1.23 116.25 117.74 1wg7 h VAL 110 Ca 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.19 1wg7 h VAL 110 Cb 0.96 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1wg7 h VAL 110 CO -0.60 0.00 0.24 -0.33 -1.01 0.00 0.00 177.57 175.88 1wg7 h GLU 111 N -0.86 0.00 0.04 4.17 5.08 -1.56 1.32 114.58 122.77 1wg7 h GLU 111 Ca -0.05 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 1wg7 h GLU 111 Cb 0.75 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1wg7 h GLU 111 CO -0.06 0.00 -1.81 -0.12 -1.00 0.00 0.00 179.01 176.02 1wg7 n MET 112 N -2.66 0.67 0.05 2.33 1.56 0.26 -3.96 117.12 115.37 1wg7 n MET 112 Ca -0.02 0.28 -0.16 0.00 -0.27 0.00 0.00 57.70 57.53 1wg7 n MET 112 Cb 0.29 -1.76 -0.14 0.00 2.15 0.00 0.00 33.22 33.75 1wg7 n MET 112 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 1wg7 h GLU 113 N 0.02 0.22 -0.06 2.12 4.11 0.57 -3.01 114.58 118.54 1wg7 h GLU 113 Ca -0.33 -0.37 0.04 0.00 0.07 0.00 0.00 59.36 58.76 1wg7 h GLU 113 Cb 2.03 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 31.35 1wg7 h GLU 113 CO 0.08 1.06 -0.42 0.93 0.07 0.00 0.00 179.01 180.73 1wg7 h GLU 114 N 0.06 -0.51 0.46 1.06 5.08 0.13 0.41 114.58 121.27 1wg7 h GLU 114 Ca -0.25 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1wg7 h GLU 114 Cb 2.01 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.38 1wg7 h GLU 114 CO 0.15 -0.34 -0.22 -1.49 -1.00 0.00 0.00 179.01 176.10 1wg7 h TRP 115 N -0.53 -0.57 -1.41 4.33 4.06 -1.72 0.11 115.95 120.22 1wg7 h TRP 115 Ca 0.06 -0.01 0.41 0.00 2.06 0.00 0.00 58.89 61.41 1wg7 h TRP 115 Cb 0.64 0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 28.93 1wg7 h TRP 115 CO -0.45 -0.29 1.13 0.82 -3.56 0.00 0.00 178.44 176.09 1wg7 h ILE 116 N -0.75 0.15 0.19 1.49 2.04 -1.31 1.93 117.51 121.24 1wg7 h ILE 116 Ca -0.06 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.45 1wg7 h ILE 116 Cb 0.54 0.18 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1wg7 h ILE 116 CO 0.10 0.00 -1.72 0.74 0.00 0.00 0.00 178.15 177.27 1wg7 h THR 117 N 0.00 0.96 0.12 -0.27 2.02 0.81 -2.70 112.91 113.84 1wg7 h THR 117 Ca 0.67 -2.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 1wg7 h THR 117 Cb 2.93 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 72.12 1wg7 h THR 117 CO -0.01 0.85 -0.06 0.40 0.37 0.00 0.00 175.52 177.08 1wg7 h ILE 118 N 0.09 1.08 0.55 3.11 5.03 0.48 -0.56 117.51 127.30 1wg7 h ILE 118 Ca -0.34 -1.05 -0.02 0.00 -0.12 0.00 0.00 64.86 63.33 1wg7 h ILE 118 Cb 2.09 1.71 -0.02 0.00 -3.03 0.00 0.00 36.82 37.57 1wg7 h ILE 118 CO 0.18 0.24 -0.48 -0.07 -0.68 0.00 0.00 178.15 177.34 1wg7 h LEU 119 N -0.67 -1.30 -0.84 1.44 3.38 0.19 0.18 115.31 117.69 1wg7 h LEU 119 Ca -0.02 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1wg7 h LEU 119 Cb 0.52 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1wg7 h LEU 119 CO 0.03 -0.67 0.00 -0.46 0.09 0.00 0.00 178.44 177.43 1wg7 n ASN 120 N -5.57 0.33 0.00 -0.43 0.23 -1.02 -1.33 115.26 107.47 1wg7 n ASN 120 Ca -0.12 0.65 0.00 0.00 -0.53 0.00 0.00 54.58 54.58 1wg7 n ASN 120 Cb 0.46 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1wg7 n ASN 120 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1wg7 n LYS 121 N -1.94 0.00 -0.01 -3.83 3.00 0.56 -1.88 118.16 114.06 1wg7 n LYS 121 Ca -0.01 0.48 0.17 0.00 -0.00 0.00 0.00 58.31 58.96 1wg7 n LYS 121 Cb 0.02 -1.18 0.63 0.00 0.00 0.00 0.00 35.03 34.50 1wg7 n LYS 121 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1wg7 h ILE 122 N 0.00 0.79 -0.36 3.15 5.03 -1.06 0.59 117.51 125.64 1wg7 h ILE 122 Ca 0.00 -0.04 -0.04 0.00 -0.12 0.00 0.00 64.86 64.66 1wg7 h ILE 122 Cb 0.00 0.67 -0.02 0.00 -3.03 0.00 0.00 36.82 34.44 1wg7 h ILE 122 CO 0.00 0.02 0.06 -0.07 -0.68 0.00 0.00 178.15 177.48 1wg7 h LEU 123 N 0.12 0.50 0.00 1.44 4.07 -1.27 1.59 115.31 121.76 1wg7 h LEU 123 Ca 0.25 -0.08 -0.27 0.00 0.08 0.00 0.00 57.88 57.86 1wg7 h LEU 123 Cb 0.82 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.38 1wg7 h LEU 123 CO -0.03 0.53 -1.52 1.56 -1.08 0.00 0.00 178.44 177.91 1wg7 h GLN 124 N 0.53 0.01 0.00 1.13 1.08 0.61 -3.31 115.11 115.16 1wg7 h GLN 124 Ca 0.12 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 1wg7 h GLN 124 Cb 0.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1wg7 h GLN 124 CO 0.00 0.64 -0.36 -0.07 -0.95 0.00 0.00 178.83 178.10 1wg7 h LEU 125 N 0.00 0.00 -1.27 1.46 3.38 0.40 -3.07 115.31 116.21 1wg7 h LEU 125 Ca -0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 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 0.09 0.36 -0.32 0.78 0.09 0.00 0.00 178.44 179.44 1wg7 h ASN 126 N 0.00 0.00 -0.08 -0.43 2.35 0.22 0.32 115.58 117.96 1wg7 h ASN 126 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1wg7 h ASN 126 Cb 1.26 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.64 1wg7 h ASN 126 CO 0.05 0.32 -0.47 0.15 -1.65 0.00 0.00 177.43 175.82 1wg7 h PHE 127 N 0.00 0.63 0.00 1.19 3.57 -1.62 -2.97 116.94 117.73 1wg7 h PHE 127 Ca -0.00 -0.28 -0.06 0.00 3.53 0.00 0.00 57.97 61.15 1wg7 h PHE 127 Cb 0.69 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1wg7 h PHE 127 CO 0.00 1.06 -0.28 0.93 -2.23 0.00 0.00 178.31 177.78 1wg7 h GLU 128 N 0.02 0.00 0.00 1.11 5.08 -1.53 -2.95 114.58 116.30 1wg7 h GLU 128 Ca -0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1wg7 h GLU 128 Cb 1.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1wg7 h GLU 128 CO 0.10 0.28 -0.12 0.00 -1.00 0.00 0.00 179.01 178.27 1wg7 h ALA 129 N 1.72 1.04 0.09 3.43 0.00 -0.36 -0.37 119.26 124.80 1wg7 h ALA 129 Ca -0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1wg7 h ALA 129 Cb 1.13 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1wg7 h ALA 129 CO 0.04 0.15 -0.78 0.00 0.00 0.00 0.00 179.25 178.66 1wg7 h ALA 130 N 1.88 0.03 0.00 0.00 0.00 -1.35 -2.56 119.26 117.25 1wg7 h ALA 130 Ca -0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 1wg7 h ALA 130 Cb 0.60 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1wg7 h ALA 130 CO 0.02 0.41 -0.19 0.52 0.00 0.00 0.00 179.25 180.01 1wg7 h MET 131 N -0.58 0.00 0.05 0.00 2.07 -1.42 0.22 114.93 115.26 1wg7 h MET 131 Ca -0.16 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.34 1wg7 h MET 131 Cb 1.47 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 31.21 1wg7 h MET 131 CO 0.06 0.19 -0.54 -0.56 1.07 0.00 0.00 176.91 177.13 1wg7 h GLN 132 N 0.00 0.28 -0.06 1.72 3.07 -1.15 -3.28 115.11 115.68 1wg7 h GLN 132 Ca -0.00 -0.36 -0.11 0.00 0.09 0.00 0.00 58.65 58.26 1wg7 h GLN 132 Cb 0.44 0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.11 1wg7 h GLN 132 CO 0.02 1.10 -0.48 0.93 0.09 0.00 0.00 178.83 180.49 1wg7 h GLU 133 N -0.37 0.15 -0.51 0.06 4.39 -1.21 -3.09 114.58 114.01 1wg7 h GLU 133 Ca -0.08 -0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.64 1wg7 h GLU 133 Cb 1.33 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.88 1wg7 h GLU 133 CO 0.10 0.61 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.18 1wg7 h LYS 134 N 0.12 -0.04 -2.01 2.33 3.64 -0.63 -0.02 116.57 119.96 1wg7 h LYS 134 Ca 0.00 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.67 1wg7 h LYS 134 Cb 0.90 0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 32.49 1wg7 h LYS 134 CO 0.07 -0.03 0.94 0.54 -2.27 0.00 0.00 179.45 178.70 1wg7 n ARG 135 N -5.39 2.77 0.01 1.90 5.12 -1.17 -4.21 116.66 115.69 1wg7 n ARG 135 Ca 0.05 -3.31 0.00 0.00 -1.93 0.00 0.00 57.85 52.66 1wg7 n ARG 135 Cb 0.29 -2.25 0.00 0.00 -1.16 0.00 0.00 32.46 29.34 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 -0.21 0.01 0.00 0.55 5.15 -0.04 -5.03 115.26 115.68 1wg7 n ASN 136 Ca 0.53 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.53 1wg7 n ASN 136 Cb 0.30 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 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 1.89 -0.41 0.00 8.20 0.00 -1.08 -5.11 105.19 108.68 1wg7 n GLY 137 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1wg7 n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wg7 n ASP 138 N 0.00 0.00 -3.64 1.61 9.92 -1.26 -5.06 116.55 118.12 1wg7 n ASP 138 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1wg7 n ASP 138 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1wg7 n ASP 138 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1wg7 s SER 139 N 0.00 -0.63 0.00 -2.24 0.01 -1.26 -3.72 113.70 105.86 1wg7 s SER 139 Ca 0.00 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1wg7 s SER 139 Cb 0.00 1.19 0.00 0.00 0.21 0.00 0.00 66.02 67.42 1wg7 s SER 139 CO 0.00 -0.18 0.00 1.57 0.41 0.00 0.00 173.24 175.04 1wg7 n HIS 140 N 3.22 -1.32 -3.71 2.43 -0.00 -0.42 -4.78 115.22 110.64 1wg7 n HIS 140 Ca -0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.45 1wg7 n HIS 140 Cb 0.57 0.33 -0.06 0.00 -0.00 0.00 0.00 29.99 30.83 1wg7 n HIS 140 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1wg7 s GLU 141 N -0.66 0.94 -0.17 1.57 4.04 -0.61 -1.24 118.70 122.56 1wg7 s GLU 141 Ca 0.00 -0.63 -0.33 0.00 0.04 0.00 0.00 54.97 54.05 1wg7 s GLU 141 Cb 0.00 0.41 0.14 0.00 0.02 0.00 0.00 34.13 34.70 1wg7 s GLU 141 CO 0.00 -0.33 1.15 0.34 -1.84 0.00 0.00 175.26 174.58 1wg7 s ASP 142 N -2.47 -0.19 0.81 0.83 2.15 -1.13 -4.39 116.67 112.28 1wg7 s ASP 142 Ca -0.00 0.06 -0.03 0.00 0.43 0.00 0.00 52.55 53.01 1wg7 s ASP 142 Cb 0.01 0.19 0.05 0.00 -0.30 0.00 0.00 42.92 42.87 1wg7 s ASP 142 CO -0.08 -0.28 0.30 -0.67 -0.17 0.00 0.00 175.17 174.27 1wg7 n ASP 143 N 0.07 0.14 -3.76 -0.34 2.03 -1.26 -4.86 116.55 108.56 1wg7 n ASP 143 Ca -0.02 -1.18 -0.23 0.00 0.52 0.00 0.00 54.79 53.88 1wg7 n ASP 143 Cb 0.59 -0.22 -0.17 0.00 -0.72 0.00 0.00 41.12 40.60 1wg7 n ASP 143 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1wg7 s GLU 144 N -3.48 0.59 0.00 -0.67 0.41 -1.26 -5.09 118.70 109.21 1wg7 s GLU 144 Ca 0.18 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.81 1wg7 s GLU 144 Cb -0.01 -1.06 0.00 0.00 -1.78 0.00 0.00 34.13 31.29 1wg7 s GLU 144 CO 0.12 -0.33 0.00 -1.13 -0.49 0.00 0.00 175.26 173.43 1wg7 n SER 145 N 5.14 0.00 -4.92 -0.19 3.41 -1.26 -5.16 113.62 110.65 1wg7 n SER 145 Ca -0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.24 1wg7 n SER 145 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1wg7 n SER 145 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wg7 s GLY 146 N 0.00 2.09 1.08 5.00 0.00 -1.26 -5.11 107.32 109.12 1wg7 s GLY 146 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 44.72 43.73 1wg7 s GLY 146 CO 0.00 -0.78 1.22 2.56 0.00 0.00 0.00 173.10 176.10 1wg7 s PRO 147 N -2.73 -0.27 -0.16 2.90 0.04 -1.26 -5.05 135.00 128.48 1wg7 s PRO 147 Ca 0.36 -0.24 -0.13 0.00 0.04 0.00 0.00 61.00 61.03 1wg7 s PRO 147 Cb -0.12 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1wg7 s PRO 147 CO 0.27 -3.05 -0.28 0.45 0.04 0.00 0.00 177.00 174.43 1wg7 n SER 148 N -4.26 1.72 -1.87 6.66 2.88 -1.26 -5.12 113.62 112.37 1wg7 n SER 148 Ca 0.14 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1wg7 n SER 148 Cb 0.59 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1wg7 n SER 148 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg7 n SER 149 N -4.19 -7.95 0.00 -3.46 7.64 -1.26 -5.29 113.62 99.11 1wg7 n SER 149 Ca -0.22 1.23 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1wg7 n SER 149 Cb 0.55 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.29 1wg7 n SER 149 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64