#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 -7.53 -3.81 1.61 7.64 -1.26 -5.07 113.62 105.20 1wg7 n SER 2 Ca 0.00 1.59 -0.09 0.00 1.01 0.00 0.00 58.87 61.38 1wg7 n SER 2 Cb 0.00 -4.36 -0.04 0.00 -1.01 0.00 0.00 64.21 58.81 1wg7 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg7 s SER 3 N -4.88 -0.24 0.00 6.43 1.04 -1.26 -5.15 113.70 109.64 1wg7 s SER 3 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1wg7 s SER 3 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1wg7 s SER 3 CO 0.00 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1wg7 n GLY 4 N -0.38 -0.84 3.20 7.32 0.00 -1.26 -5.10 105.19 108.14 1wg7 n GLY 4 Ca -0.07 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.06 -0.00 -0.19 1.61 0.15 -1.26 -5.17 113.70 106.78 1wg7 s SER 5 Ca 0.00 -0.34 -0.31 0.00 0.70 0.00 0.00 55.95 56.00 1wg7 s SER 5 Cb 0.00 0.31 0.15 0.00 -1.71 0.00 0.00 66.02 64.77 1wg7 s SER 5 CO 0.00 -0.59 1.13 -0.94 1.20 0.00 0.00 173.24 174.05 1wg7 s SER 6 N -2.14 -0.23 0.00 5.45 1.04 -1.26 -5.01 113.70 111.55 1wg7 s SER 6 Ca -0.04 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1wg7 s SER 6 Cb -0.01 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1wg7 s SER 6 CO -0.04 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1wg7 n GLY 7 N 0.46 2.18 3.03 7.32 0.00 -1.26 -4.74 105.19 112.18 1wg7 n GLY 7 Ca -0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -2.36 -2.33 4.61 0.00 -1.26 -4.54 120.51 114.62 1wg7 n ALA 8 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 1wg7 n ALA 8 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 19.45 15.76 1wg7 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wg7 n ALA 9 N -2.50 -2.94 -2.72 0.00 0.00 -1.26 -5.05 120.51 106.04 1wg7 n ALA 9 Ca -0.04 1.37 -0.04 0.00 0.00 0.00 0.00 53.44 54.73 1wg7 n ALA 9 Cb 0.56 -2.89 0.02 0.00 0.00 0.00 0.00 19.45 17.15 1wg7 n ALA 9 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wg7 n SER 10 N 1.56 -2.64 -4.44 0.00 3.41 -1.26 -5.14 113.62 105.11 1wg7 n SER 10 Ca -0.20 -2.15 -0.33 0.00 -0.26 0.00 0.00 58.87 55.93 1wg7 n SER 10 Cb 0.31 1.35 -0.13 0.00 -0.26 0.00 0.00 64.21 65.48 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 0.84 2.80 0.00 1.04 2.96 -1.26 -5.02 118.68 120.04 1wg7 s LEU 11 Ca 0.27 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 1wg7 s LEU 11 Cb 0.06 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 45.14 1wg7 s LEU 11 CO -0.08 0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.81 1wg7 n GLY 12 N 2.97 3.90 3.34 7.98 0.00 -1.26 -5.15 105.19 116.97 1wg7 n GLY 12 Ca -0.18 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.54 1wg7 n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 13 N 0.00 -0.78 -0.08 1.61 0.15 -1.26 -5.16 113.70 108.18 1wg7 s SER 13 Ca 0.00 0.81 -0.05 0.00 0.70 0.00 0.00 55.95 57.41 1wg7 s SER 13 Cb 0.00 1.78 0.03 0.00 -1.71 0.00 0.00 66.02 66.13 1wg7 s SER 13 CO 0.00 -0.15 0.19 -1.10 1.20 0.00 0.00 173.24 173.38 1wg7 s GLN 14 N 2.70 0.17 -0.34 5.44 -1.52 -1.26 -5.11 119.66 119.74 1wg7 s GLN 14 Ca 0.01 0.37 -0.01 0.00 -1.95 0.00 0.00 55.36 53.78 1wg7 s GLN 14 Cb -0.09 -0.05 0.12 0.00 -0.22 0.00 0.00 33.01 32.76 1wg7 s GLN 14 CO -0.17 -0.11 0.16 0.15 -0.25 0.00 0.00 175.29 175.08 1wg7 s LYS 15 N 0.76 0.63 0.00 2.91 1.02 -1.26 -5.00 119.74 118.81 1wg7 s LYS 15 Ca -0.06 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.76 1wg7 s LYS 15 Cb -0.07 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 1wg7 s LYS 15 CO -0.04 -1.09 0.00 0.41 -0.92 0.00 0.00 175.35 173.71 1wg7 n GLY 16 N 4.48 0.63 0.59 -3.33 0.00 -1.26 -5.15 105.19 101.15 1wg7 n GLY 16 Ca 0.03 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.79 1wg7 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg7 n GLY 17 N 0.00 -1.79 0.68 -0.02 0.00 -1.26 -5.00 105.19 97.80 1wg7 n GLY 17 Ca 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 46.02 44.61 1wg7 n GLY 17 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wg7 n ILE 18 N -2.67 0.00 0.00 -0.61 5.41 -1.26 -5.15 119.36 115.08 1wg7 n ILE 18 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.37 1wg7 n ILE 18 Cb 0.27 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.69 1wg7 n ILE 18 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1wg7 n THR 19 N -0.83 0.00 0.00 1.39 5.66 -1.26 -4.95 114.28 114.29 1wg7 n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wg7 n THR 19 Cb 0.11 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 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 -0.49 0.00 -4.14 1.09 4.81 -1.26 -5.03 118.16 113.14 1wg7 n LYS 20 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1wg7 n LYS 20 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1wg7 n LYS 20 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1wg7 s HIS 21 N -1.70 0.92 -5.00 5.64 -3.43 -1.26 -2.46 115.29 108.00 1wg7 s HIS 21 Ca 0.00 -1.19 0.00 0.00 -0.80 0.00 0.00 55.06 53.07 1wg7 s HIS 21 Cb 0.00 -0.35 0.00 0.00 -1.43 0.00 0.00 32.58 30.80 1wg7 s HIS 21 CO 0.00 -0.73 0.00 0.41 -2.00 0.00 0.00 174.74 172.42 1wg7 n GLY 22 N -0.29 0.76 3.72 -1.38 0.00 -1.23 -5.02 105.19 101.75 1wg7 n GLY 22 Ca 0.01 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.12 3.35 0.46 1.61 0.52 -1.26 -1.26 118.94 121.23 1wg7 s TRP 23 Ca 0.00 0.25 0.02 0.00 0.02 0.00 0.00 56.10 56.40 1wg7 s TRP 23 Cb 0.00 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.32 1wg7 s TRP 23 CO 0.00 0.39 0.09 1.28 0.02 0.00 0.00 176.95 178.73 1wg7 n LEU 24 N 2.83 0.00 -3.97 2.99 4.77 0.49 -4.77 117.00 119.35 1wg7 n LEU 24 Ca -0.18 -3.23 -0.30 0.00 -0.03 0.00 0.00 56.01 52.26 1wg7 n LEU 24 Cb 0.53 0.77 -0.14 0.00 -2.33 0.00 0.00 43.42 42.24 1wg7 n LEU 24 CO 0.33 -0.48 -0.25 -0.31 -1.33 0.00 0.00 177.39 175.34 1wg7 s TYR 25 N -3.02 3.37 0.44 -1.77 1.51 0.17 -0.55 117.35 117.50 1wg7 s TYR 25 Ca 0.12 -3.04 -0.21 0.00 -1.01 0.00 0.00 57.07 52.93 1wg7 s TYR 25 Cb 0.01 -2.81 -0.10 0.00 -0.11 0.00 0.00 41.96 38.94 1wg7 s TYR 25 CO 0.09 -0.84 0.97 0.21 -1.11 0.00 0.00 175.55 174.87 1wg7 s LYS 26 N 0.31 4.13 0.00 -0.62 2.20 0.25 -1.74 119.74 124.27 1wg7 s LYS 26 Ca 0.14 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 1wg7 s LYS 26 Cb -0.23 -2.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 1wg7 s LYS 26 CO -0.04 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1wg7 n GLY 27 N -0.51 6.45 0.09 5.54 0.00 0.12 -0.23 105.19 116.66 1wg7 n GLY 27 Ca 0.07 -1.73 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 1wg7 n GLY 27 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wg7 n ASN 28 N 0.00 3.33 -0.94 1.61 2.85 -1.17 -4.67 115.26 116.27 1wg7 n ASN 28 Ca 0.00 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1wg7 n ASN 28 Cb 0.00 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 40.93 1wg7 n ASN 28 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1wg7 n MET 29 N -2.71 -2.66 0.00 1.20 2.81 -0.13 -4.88 117.12 110.75 1wg7 n MET 29 Ca -0.10 1.94 0.00 0.00 -1.81 0.00 0.00 57.70 57.73 1wg7 n MET 29 Cb 0.60 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 1wg7 n MET 29 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wg7 n ASN 30 N -0.23 0.00 -0.13 7.83 2.85 -1.26 -4.73 115.26 119.59 1wg7 n ASN 30 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 1wg7 n ASN 30 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 1wg7 n ASN 30 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1wg7 h SER 31 N 0.00 -0.90 -2.45 1.20 0.02 -1.99 -3.36 113.55 106.08 1wg7 h SER 31 Ca 0.00 0.13 -0.55 0.00 -0.84 0.00 0.00 61.79 60.53 1wg7 h SER 31 Cb 0.00 0.39 0.06 0.00 0.14 0.00 0.00 62.40 62.98 1wg7 h SER 31 CO 0.00 -0.13 0.92 0.00 -1.14 0.00 0.00 176.83 176.48 1wg7 n ALA 32 N -3.01 2.06 -0.00 3.77 0.00 -1.26 -4.83 120.51 117.23 1wg7 n ALA 32 Ca -0.00 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 1wg7 n ALA 32 Cb 0.13 -2.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.05 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 3.83 1.24 -0.39 0.00 6.09 -1.99 0.56 117.51 126.85 1wg7 h ILE 33 Ca -0.44 -0.70 0.11 0.00 -1.37 0.00 0.00 64.86 62.45 1wg7 h ILE 33 Cb 1.23 1.66 -0.02 0.00 0.47 0.00 0.00 36.82 40.16 1wg7 h ILE 33 CO 0.92 0.19 0.56 0.28 -3.07 0.00 0.00 178.15 177.03 1wg7 h SER 34 N -0.24 0.00 0.02 2.19 0.02 -1.93 0.60 113.55 114.22 1wg7 h SER 34 Ca 0.01 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.62 1wg7 h SER 34 Cb 0.30 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1wg7 h SER 34 CO 0.00 0.00 -1.87 0.52 -1.14 0.00 0.00 176.83 174.34 1wg7 n VAL 35 N -3.39 1.58 -0.35 2.27 0.31 -0.84 -3.35 118.33 114.55 1wg7 n VAL 35 Ca 0.07 -0.29 0.09 0.00 -0.01 0.00 0.00 64.34 64.19 1wg7 n VAL 35 Cb 0.72 -1.88 0.19 0.00 -0.91 0.00 0.00 33.84 31.95 1wg7 n VAL 35 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1wg7 n THR 36 N -4.09 -0.42 -0.04 2.52 5.66 0.19 0.45 114.28 118.55 1wg7 n THR 36 Ca -0.40 2.24 -0.16 0.00 -3.05 0.00 0.00 64.05 62.69 1wg7 n THR 36 Cb 0.84 -3.15 -0.08 0.00 -1.55 0.00 0.00 70.33 66.39 1wg7 n THR 36 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1wg7 h MET 37 N 0.00 0.54 -6.98 1.09 2.86 -1.55 -0.29 114.93 110.61 1wg7 h MET 37 Ca 0.51 -0.42 -0.57 0.00 -2.06 0.00 0.00 59.70 57.17 1wg7 h MET 37 Cb 0.88 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.52 1wg7 h MET 37 CO -0.99 1.04 -0.92 0.54 1.06 0.00 0.00 176.91 177.63 1wg7 n ARG 38 N -4.24 -0.57 -3.62 1.72 5.12 0.17 -1.48 116.66 113.77 1wg7 n ARG 38 Ca -0.07 0.04 -0.28 0.00 -1.93 0.00 0.00 57.85 55.61 1wg7 n ARG 38 Cb 0.58 -2.70 0.01 0.00 -1.16 0.00 0.00 32.46 29.20 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 -2.24 -5.36 -3.82 0.55 7.64 -1.26 -4.57 113.62 104.56 1wg7 n SER 39 Ca -0.20 -0.57 -0.54 0.00 1.01 0.00 0.00 58.87 58.58 1wg7 n SER 39 Cb 0.58 -1.99 -0.08 0.00 -1.01 0.00 0.00 64.21 61.71 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 -1.59 1.22 -3.39 1.43 3.72 -0.55 -4.87 117.46 113.43 1wg7 n PHE 40 Ca -0.20 0.92 -0.37 0.00 -0.05 0.00 0.00 57.45 57.74 1wg7 n PHE 40 Cb 0.67 -1.79 -0.06 0.00 -0.94 0.00 0.00 39.48 37.36 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1wg7 s LYS 41 N 1.87 4.30 -0.30 -1.08 3.01 0.68 -4.84 119.74 123.36 1wg7 s LYS 41 Ca 0.83 0.34 -0.29 0.00 -1.01 0.00 0.00 55.97 55.84 1wg7 s LYS 41 Cb -1.18 -3.42 0.02 0.00 -1.01 0.00 0.00 37.83 32.23 1wg7 s LYS 41 CO 0.62 0.21 1.06 0.50 0.51 0.00 0.00 175.35 178.24 1wg7 s ARG 42 N 0.50 4.09 0.04 1.68 3.52 -1.26 -0.58 118.95 126.95 1wg7 s ARG 42 Ca 0.23 1.10 0.01 0.00 -0.13 0.00 0.00 55.73 56.94 1wg7 s ARG 42 Cb -0.14 -3.72 -0.03 0.00 -1.56 0.00 0.00 34.95 29.50 1wg7 s ARG 42 CO 0.08 -0.85 -0.06 1.03 -0.81 0.00 0.00 175.30 174.70 1wg7 s ARG 43 N 3.55 0.51 -0.03 5.12 1.81 0.29 -4.95 118.95 125.25 1wg7 s ARG 43 Ca 0.45 -0.84 -0.29 0.00 -1.72 0.00 0.00 55.73 53.32 1wg7 s ARG 43 Cb -0.13 -0.11 -0.03 0.00 -0.45 0.00 0.00 34.95 34.24 1wg7 s ARG 43 CO 0.14 -0.01 0.96 0.12 -0.68 0.00 0.00 175.30 175.83 1wg7 s PHE 44 N -1.98 3.61 -0.30 -0.53 5.36 -0.90 -0.38 117.98 122.87 1wg7 s PHE 44 Ca -0.07 1.63 -0.02 0.00 -0.96 0.00 0.00 56.93 57.51 1wg7 s PHE 44 Cb -0.06 -3.11 0.04 0.00 -0.34 0.00 0.00 43.02 39.55 1wg7 s PHE 44 CO -0.02 -0.06 0.00 -0.06 -1.46 0.00 0.00 175.22 173.62 1wg7 s PHE 45 N 1.27 3.23 -0.09 10.12 0.40 -0.39 0.34 117.98 132.87 1wg7 s PHE 45 Ca 0.50 -1.76 -0.02 0.00 -0.60 0.00 0.00 56.93 55.05 1wg7 s PHE 45 Cb -0.20 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1wg7 s PHE 45 CO 0.24 -0.78 0.00 -1.58 0.70 0.00 0.00 175.22 173.81 1wg7 s HIS 46 N 1.28 3.16 -0.17 0.36 5.65 0.95 -3.57 115.29 122.95 1wg7 s HIS 46 Ca -0.04 0.19 -0.07 0.00 0.25 0.00 0.00 55.06 55.39 1wg7 s HIS 46 Cb -0.19 -1.79 -0.04 0.00 -1.18 0.00 0.00 32.58 29.38 1wg7 s HIS 46 CO -0.01 0.47 0.08 -1.17 -0.65 0.00 0.00 174.74 173.46 1wg7 s LEU 47 N -0.89 3.92 0.02 8.88 2.96 -1.03 0.76 118.68 133.30 1wg7 s LEU 47 Ca 0.13 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 1wg7 s LEU 47 Cb -0.11 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1wg7 s LEU 47 CO 0.02 0.21 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.71 1wg7 s ILE 48 N 0.14 0.29 0.01 6.68 2.07 -0.19 -4.66 121.20 125.54 1wg7 s ILE 48 Ca 0.06 -0.58 -0.25 0.00 -1.41 0.00 0.00 60.65 58.46 1wg7 s ILE 48 Cb -0.12 -0.33 -0.05 0.00 0.13 0.00 0.00 42.46 42.09 1wg7 s ILE 48 CO 0.00 -0.20 0.78 -1.58 -1.91 0.00 0.00 174.94 172.04 1wg7 s GLN 49 N -0.83 4.50 0.06 3.50 0.74 -1.26 -0.36 119.66 126.01 1wg7 s GLN 49 Ca -0.06 1.08 -0.01 0.00 0.05 0.00 0.00 55.36 56.42 1wg7 s GLN 49 Cb -0.06 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.67 1wg7 s GLN 49 CO -0.00 0.18 0.03 1.28 -0.55 0.00 0.00 175.29 176.23 1wg7 n LEU 50 N 3.18 0.00 -0.14 3.68 7.99 0.28 -4.64 117.00 127.36 1wg7 n LEU 50 Ca -0.01 -0.03 -0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1wg7 n LEU 50 Cb 0.51 -0.04 0.02 0.00 -0.11 0.00 0.00 43.42 43.79 1wg7 n LEU 50 CO 0.48 -1.43 0.21 0.61 -1.51 0.00 0.00 177.39 175.76 1wg7 n GLY 51 N -0.17 -0.74 0.00 -0.72 0.00 -1.26 -4.07 105.19 98.23 1wg7 n GLY 51 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.54 0.00 0.00 1.61 2.03 -1.26 -5.08 116.55 109.31 1wg7 n ASP 52 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1wg7 n ASP 52 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 -1.75 3.52 0.27 0.00 -1.26 -4.96 105.19 101.02 1wg7 n GLY 53 Ca 0.00 0.61 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 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 1.20 0.31 1.61 0.01 -1.26 -4.68 113.70 106.89 1wg7 s SER 54 Ca 0.00 1.50 0.08 0.00 1.31 0.00 0.00 55.95 58.84 1wg7 s SER 54 Cb 0.00 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 1wg7 s SER 54 CO 0.00 -4.06 -0.08 -0.31 0.41 0.00 0.00 173.24 169.20 1wg7 s TYR 55 N -2.53 2.18 -0.21 2.43 1.51 -1.26 0.10 117.35 119.57 1wg7 s TYR 55 Ca 0.68 -0.59 -0.12 0.00 -1.01 0.00 0.00 57.07 56.03 1wg7 s TYR 55 Cb -0.24 -1.23 0.07 0.00 -0.11 0.00 0.00 41.96 40.44 1wg7 s TYR 55 CO 0.64 0.44 0.52 -0.80 -1.11 0.00 0.00 175.55 175.23 1wg7 s ASN 56 N -3.52 -0.68 -0.57 2.29 -0.87 0.52 -4.07 114.94 108.04 1wg7 s ASN 56 Ca 0.31 1.13 -0.20 0.00 -1.57 0.00 0.00 52.86 52.54 1wg7 s ASN 56 Cb 0.03 1.03 0.08 0.00 -0.02 0.00 0.00 41.25 42.37 1wg7 s ASN 56 CO 0.14 -0.21 0.72 -0.22 -2.57 0.00 0.00 177.10 174.96 1wg7 s LEU 57 N 1.53 5.06 -0.24 0.60 2.96 -1.16 -1.02 118.68 126.41 1wg7 s LEU 57 Ca -0.10 -1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 52.55 1wg7 s LEU 57 Cb -0.07 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 1wg7 s LEU 57 CO -0.16 -1.09 0.21 0.20 -1.32 0.00 0.00 176.35 174.20 1wg7 s ASN 58 N 3.28 6.15 -0.13 3.68 0.01 0.23 -0.28 114.94 127.88 1wg7 s ASN 58 Ca 0.15 0.16 -0.06 0.00 -0.71 0.00 0.00 52.86 52.40 1wg7 s ASN 58 Cb -0.21 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 1wg7 s ASN 58 CO 0.09 0.01 0.09 0.72 -1.51 0.00 0.00 177.10 176.50 1wg7 s PHE 59 N 1.30 3.40 0.32 2.20 -0.12 -1.24 -0.04 117.98 123.81 1wg7 s PHE 59 Ca 0.10 0.35 0.10 0.00 -0.05 0.00 0.00 56.93 57.42 1wg7 s PHE 59 Cb -0.14 -1.93 -0.06 0.00 -0.63 0.00 0.00 43.02 40.26 1wg7 s PHE 59 CO 0.07 0.54 -0.07 0.71 -0.05 0.00 0.00 175.22 176.41 1wg7 s TYR 60 N -0.66 2.45 0.42 3.49 1.51 0.15 -1.74 117.35 122.97 1wg7 s TYR 60 Ca 0.12 -0.41 0.12 0.00 -1.01 0.00 0.00 57.07 55.89 1wg7 s TYR 60 Cb -0.12 -1.31 0.90 0.00 -0.11 0.00 0.00 41.96 41.32 1wg7 s TYR 60 CO 0.02 0.58 1.96 -0.22 -1.11 0.00 0.00 175.55 176.78 1wg7 h LYS 61 N 1.99 0.10 0.00 -0.62 3.64 -1.88 -2.39 116.57 117.41 1wg7 h LYS 61 Ca -0.42 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1wg7 h LYS 61 Cb 1.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1wg7 h LYS 61 CO 0.66 0.27 0.00 -0.25 -2.27 0.00 0.00 179.45 177.86 1wg7 n ASP 62 N -4.30 0.02 0.10 4.20 9.92 -1.26 -4.58 116.55 120.65 1wg7 n ASP 62 Ca -0.02 -0.67 -0.05 0.00 -0.53 0.00 0.00 54.79 53.52 1wg7 n ASP 62 Cb 0.26 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.83 1wg7 n ASP 62 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1wg7 h GLU 63 N 0.00 0.15 -6.07 -1.24 5.08 -1.96 -3.43 114.58 107.11 1wg7 h GLU 63 Ca 0.00 -0.12 -0.58 0.00 -1.00 0.00 0.00 59.36 57.66 1wg7 h GLU 63 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wg7 h GLU 63 CO 0.00 0.79 1.44 0.15 -1.00 0.00 0.00 179.01 180.38 1wg7 s LYS 64 N -3.52 3.34 0.00 2.33 -0.14 -1.26 -4.90 119.74 115.59 1wg7 s LYS 64 Ca -0.03 2.14 0.00 0.00 -1.36 0.00 0.00 55.97 56.72 1wg7 s LYS 64 Cb 0.12 -4.33 0.00 0.00 -1.68 0.00 0.00 37.83 31.94 1wg7 s LYS 64 CO 0.80 -1.87 0.00 0.44 -0.76 0.00 0.00 175.35 173.96 1wg7 n ILE 65 N 7.29 0.00 0.00 2.17 -5.35 -1.26 -4.83 119.36 117.38 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 0.44 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 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 -3.27 7.28 2.88 -1.26 -4.88 113.62 114.37 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 0.47 -2.66 -1.46 5.02 -1.26 -4.92 118.16 113.34 1wg7 n LYS 67 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1wg7 n LYS 67 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 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 -0.78 4.23 1.06 1.97 2.02 -1.26 -5.03 118.70 120.91 1wg7 s GLU 68 Ca 0.00 1.31 -0.17 0.00 0.02 0.00 0.00 54.97 56.13 1wg7 s GLU 68 Cb 0.00 -3.66 0.23 0.00 0.10 0.00 0.00 34.13 30.81 1wg7 s GLU 68 CO 0.00 -0.67 1.21 -1.25 0.02 0.00 0.00 175.26 174.57 1wg7 s PRO 69 N 3.27 -0.13 0.27 0.39 0.04 -1.26 -4.96 135.00 132.62 1wg7 s PRO 69 Ca 0.44 -0.19 0.13 0.00 0.04 0.00 0.00 61.00 61.42 1wg7 s PRO 69 Cb -0.15 -1.74 0.28 0.00 0.04 0.00 0.00 34.50 32.94 1wg7 s PRO 69 CO 0.08 -2.96 1.54 0.87 0.04 0.00 0.00 177.00 176.57 1wg7 h LYS 70 N -2.04 0.00 0.00 4.56 1.79 -1.71 -3.49 116.57 115.68 1wg7 h LYS 70 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1wg7 h LYS 70 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1wg7 h LYS 70 CO 0.39 0.60 0.00 0.41 -1.08 0.00 0.00 179.45 179.77 1wg7 n GLY 71 N 0.69 1.36 3.62 3.86 0.00 -1.24 -5.04 105.19 108.44 1wg7 n GLY 71 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 1wg7 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 72 N 2.00 -0.21 -0.26 1.61 0.15 -1.26 -3.59 113.70 112.14 1wg7 s SER 72 Ca 0.00 0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.80 1wg7 s SER 72 Cb 0.00 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1wg7 s SER 72 CO 0.00 -0.14 0.34 -0.63 1.20 0.00 0.00 173.24 174.01 1wg7 s ILE 73 N -0.63 5.20 -1.24 6.45 1.01 0.61 -4.92 121.20 127.68 1wg7 s ILE 73 Ca 0.04 0.53 -0.19 0.00 0.00 0.00 0.00 60.65 61.03 1wg7 s ILE 73 Cb -0.02 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.81 1wg7 s ILE 73 CO -0.06 0.19 1.75 -0.36 0.00 0.00 0.00 174.94 176.46 1wg7 s PHE 74 N 1.85 2.60 0.60 3.97 0.40 -1.26 -2.98 117.98 123.16 1wg7 s PHE 74 Ca 0.14 -1.15 0.32 0.00 -0.60 0.00 0.00 56.93 55.64 1wg7 s PHE 74 Cb -0.15 -4.61 1.73 0.00 0.51 0.00 0.00 43.02 40.50 1wg7 s PHE 74 CO 0.09 -1.72 1.97 -0.07 0.70 0.00 0.00 175.22 176.19 1wg7 h LEU 75 N 13.56 0.00 -1.21 -0.37 3.38 -1.93 0.67 115.31 129.42 1wg7 h LEU 75 Ca 0.38 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.28 1wg7 h LEU 75 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1wg7 h LEU 75 CO 1.41 0.00 -0.18 -0.78 0.09 0.00 0.00 178.44 178.99 1wg7 h ASP 76 N 0.00 0.32 0.08 -0.43 1.82 -1.85 -2.79 116.42 113.58 1wg7 h ASP 76 Ca 0.00 -0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.51 1wg7 h ASP 76 Cb 0.50 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 1wg7 h ASP 76 CO 0.00 0.52 -1.97 -1.20 -1.61 0.00 0.00 179.24 174.98 1wg7 n SER 77 N -4.20 0.08 -4.64 2.28 7.64 0.21 -4.95 113.62 110.04 1wg7 n SER 77 Ca -0.00 0.03 -0.49 0.00 1.01 0.00 0.00 58.87 59.42 1wg7 n SER 77 Cb 0.32 1.73 -0.05 0.00 -1.01 0.00 0.00 64.21 65.20 1wg7 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n MET 79 N 3.15 0.69 0.00 0.00 0.00 0.44 -4.87 117.12 116.54 1wg7 n MET 79 Ca 0.18 0.32 0.00 0.00 0.00 0.00 0.00 57.70 58.19 1wg7 n MET 79 Cb 0.24 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 31.78 1wg7 n MET 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wg7 n GLY 80 N 1.86 0.83 3.69 3.03 0.00 -1.12 -4.91 105.19 108.57 1wg7 n GLY 80 Ca -0.35 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 4.92 0.39 1.61 1.01 -1.26 -0.99 120.40 124.08 1wg7 s VAL 81 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.06 1wg7 s VAL 81 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1wg7 s VAL 81 CO 0.00 0.50 0.29 0.68 0.00 0.00 0.00 175.10 176.56 1wg7 s VAL 82 N 0.02 2.77 -0.31 2.92 -7.23 0.41 -4.95 120.40 114.02 1wg7 s VAL 82 Ca 0.07 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1wg7 s VAL 82 Cb -0.12 -3.02 0.09 0.00 0.56 0.00 0.00 36.38 33.88 1wg7 s VAL 82 CO 0.01 -0.05 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.63 1wg7 s GLN 83 N -4.02 1.73 -0.01 4.82 -0.21 -1.26 -2.21 119.66 118.50 1wg7 s GLN 83 Ca 0.44 -1.66 -0.04 0.00 0.02 0.00 0.00 55.36 54.12 1wg7 s GLN 83 Cb -0.02 -3.06 -0.02 0.00 1.00 0.00 0.00 33.01 30.91 1wg7 s GLN 83 CO 0.26 -0.81 0.51 -0.97 -2.12 0.00 0.00 175.29 172.16 1wg7 h ASN 84 N 7.68 -0.13 0.00 5.90 -1.24 -1.76 -3.46 115.58 122.57 1wg7 h ASN 84 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1wg7 h ASN 84 Cb 1.03 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.11 1wg7 h ASN 84 CO 0.50 -0.02 0.00 -3.20 -1.29 0.00 0.00 177.43 173.41 1wg7 n ASN 85 N -2.77 -4.58 -0.14 1.15 2.85 -1.19 -4.77 115.26 105.81 1wg7 n ASN 85 Ca -0.02 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.17 1wg7 n ASN 85 Cb 0.06 -2.42 -0.10 0.00 1.24 0.00 0.00 39.78 38.55 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 -0.48 0.60 0.06 1.20 4.76 -1.26 -4.65 118.16 118.39 1wg7 n LYS 86 Ca 0.00 0.24 -0.10 0.00 -2.87 0.00 0.00 58.31 55.58 1wg7 n LYS 86 Cb 0.30 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.93 1wg7 n LYS 86 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1wg7 h VAL 87 N -0.81 0.75 -4.05 -0.18 -1.51 -1.93 -3.46 116.25 105.07 1wg7 h VAL 87 Ca -0.68 -1.10 -0.45 0.00 -1.23 0.00 0.00 66.70 63.24 1wg7 h VAL 87 Cb 1.67 1.27 -0.25 0.00 -2.13 0.00 0.00 31.29 31.85 1wg7 h VAL 87 CO -0.36 0.20 -0.79 -0.60 -1.23 0.00 0.00 177.57 174.78 1wg7 s ARG 88 N -3.32 0.95 0.56 5.19 3.52 -1.26 -5.01 118.95 119.58 1wg7 s ARG 88 Ca -0.12 -0.73 0.36 0.00 -0.13 0.00 0.00 55.73 55.12 1wg7 s ARG 88 Cb 0.00 -0.95 1.50 0.00 -1.56 0.00 0.00 34.95 33.94 1wg7 s ARG 88 CO 0.44 0.24 1.75 0.00 -0.81 0.00 0.00 175.30 176.92 1wg7 h ARG 89 N 5.03 0.00 -2.02 5.12 2.47 -1.89 -2.49 114.38 120.61 1wg7 h ARG 89 Ca -0.38 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.78 1wg7 h ARG 89 Cb 1.18 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 29.11 1wg7 h ARG 89 CO 0.44 0.00 -1.07 1.19 0.56 0.00 0.00 179.97 181.10 1wg7 n PHE 90 N -3.99 -0.02 -4.71 3.04 3.72 -1.26 -4.76 117.46 109.48 1wg7 n PHE 90 Ca 0.24 -3.62 -0.27 0.00 -0.05 0.00 0.00 57.45 53.76 1wg7 n PHE 90 Cb 1.26 -0.37 -0.17 0.00 -0.94 0.00 0.00 39.48 39.26 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 -1.32 1.55 0.05 4.37 0.00 -0.94 -1.75 121.76 123.72 1wg7 s ALA 91 Ca 0.36 -0.60 0.08 0.00 0.00 0.00 0.00 51.96 51.79 1wg7 s ALA 91 Cb 0.17 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1wg7 s ALA 91 CO -0.10 0.12 -0.21 -0.59 0.00 0.00 0.00 175.76 174.98 1wg7 s PHE 92 N 0.65 1.86 -0.06 0.00 -0.71 0.31 -1.96 117.98 118.07 1wg7 s PHE 92 Ca -0.14 -0.38 -0.02 0.00 -1.04 0.00 0.00 56.93 55.34 1wg7 s PHE 92 Cb -0.16 -1.10 -0.04 0.00 -1.21 0.00 0.00 43.02 40.51 1wg7 s PHE 92 CO 0.04 0.11 0.07 -2.00 -1.34 0.00 0.00 175.22 172.10 1wg7 s GLU 93 N -1.26 3.13 -0.59 1.99 2.12 -0.94 -0.69 118.70 122.46 1wg7 s GLU 93 Ca 0.08 -0.38 -0.13 0.00 0.36 0.00 0.00 54.97 54.90 1wg7 s GLU 93 Cb -0.09 -2.91 0.15 0.00 0.26 0.00 0.00 34.13 31.53 1wg7 s GLU 93 CO 0.02 0.70 0.51 -0.51 -0.54 0.00 0.00 175.26 175.44 1wg7 s LEU 94 N -1.30 6.13 -0.05 2.70 2.01 0.31 -0.45 118.68 128.04 1wg7 s LEU 94 Ca 0.18 -2.07 -0.30 0.00 0.01 0.00 0.00 54.13 51.95 1wg7 s LEU 94 Cb -0.12 -2.14 -0.05 0.00 0.01 0.00 0.00 46.19 43.89 1wg7 s LEU 94 CO 0.08 -0.73 1.54 -0.54 1.01 0.00 0.00 176.35 177.71 1wg7 s LYS 95 N 1.14 4.21 0.46 1.70 -0.14 -0.16 -1.78 119.74 125.16 1wg7 s LYS 95 Ca 0.08 2.07 0.07 0.00 -1.36 0.00 0.00 55.97 56.83 1wg7 s LYS 95 Cb -0.24 -3.84 0.07 0.00 -1.68 0.00 0.00 37.83 32.13 1wg7 s LYS 95 CO -0.01 -0.77 0.59 -1.33 -0.76 0.00 0.00 175.35 173.07 1wg7 n MET 96 N 6.61 0.71 -0.08 1.68 2.81 0.15 0.17 117.12 129.17 1wg7 n MET 96 Ca 0.16 -2.52 -0.10 0.00 -1.81 0.00 0.00 57.70 53.42 1wg7 n MET 96 Cb 0.43 -0.11 -0.09 0.00 -0.71 0.00 0.00 33.22 32.74 1wg7 n MET 96 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1wg7 n GLN 97 N -1.93 0.87 -0.99 0.03 7.27 -0.23 -4.52 117.38 117.88 1wg7 n GLN 97 Ca 0.11 0.07 0.02 0.00 0.07 0.00 0.00 57.00 57.26 1wg7 n GLN 97 Cb 0.48 -1.35 0.01 0.00 2.41 0.00 0.00 30.24 31.79 1wg7 n GLN 97 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1wg7 n ASP 98 N -2.85 0.52 -2.83 1.69 -0.08 -1.26 -4.86 116.55 106.88 1wg7 n ASP 98 Ca -0.28 -2.02 -0.11 0.00 -1.51 0.00 0.00 54.79 50.87 1wg7 n ASP 98 Cb 0.86 -0.25 0.04 0.00 2.34 0.00 0.00 41.12 44.11 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1wg7 n LYS 99 N 0.23 1.09 0.00 -0.67 5.02 -1.26 -5.10 118.16 117.46 1wg7 n LYS 99 Ca 0.03 -2.81 0.00 0.00 -2.02 0.00 0.00 58.31 53.51 1wg7 n LYS 99 Cb 0.92 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 1wg7 n LYS 99 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wg7 n SER 100 N -0.01 0.00 -3.61 4.39 2.88 -1.26 -4.48 113.62 111.52 1wg7 n SER 100 Ca 0.11 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.53 1wg7 n SER 100 Cb 0.76 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.16 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wg7 s SER 101 N -3.02 -0.57 0.55 -3.46 0.01 -1.26 0.31 113.70 106.27 1wg7 s SER 101 Ca 0.00 1.00 -0.02 0.00 1.31 0.00 0.00 55.95 58.24 1wg7 s SER 101 Cb 0.00 0.98 0.02 0.00 0.21 0.00 0.00 66.02 67.23 1wg7 s SER 101 CO 0.00 -0.27 0.81 -0.31 0.41 0.00 0.00 173.24 173.88 1wg7 s TYR 102 N -0.05 3.07 -0.30 2.43 2.02 -0.74 -4.79 117.35 118.99 1wg7 s TYR 102 Ca -0.00 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1wg7 s TYR 102 Cb -0.04 -2.68 0.09 0.00 -0.40 0.00 0.00 41.96 38.94 1wg7 s TYR 102 CO -0.01 -0.78 0.07 -1.17 -1.57 0.00 0.00 175.55 172.09 1wg7 s LEU 103 N -4.83 2.64 0.36 -1.29 0.20 -1.26 -0.53 118.68 113.98 1wg7 s LEU 103 Ca 0.54 -1.63 0.08 0.00 0.69 0.00 0.00 54.13 53.81 1wg7 s LEU 103 Cb -0.10 -1.01 -0.03 0.00 -0.43 0.00 0.00 46.19 44.62 1wg7 s LEU 103 CO 0.41 -0.38 0.30 -0.76 -0.29 0.00 0.00 176.35 175.62 1wg7 s LEU 104 N 1.49 3.48 -0.28 -0.68 1.43 0.14 0.16 118.68 124.42 1wg7 s LEU 104 Ca 0.08 -0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 52.32 1wg7 s LEU 104 Cb -0.18 -2.09 0.09 0.00 0.03 0.00 0.00 46.19 44.05 1wg7 s LEU 104 CO -0.19 -0.44 0.82 0.00 0.23 0.00 0.00 176.35 176.77 1wg7 s ALA 105 N -2.38 -1.88 0.43 4.21 0.00 -0.71 -0.53 121.76 120.89 1wg7 s ALA 105 Ca 0.43 2.05 0.08 0.00 0.00 0.00 0.00 51.96 54.52 1wg7 s ALA 105 Cb -0.04 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 1wg7 s ALA 105 CO 0.26 -0.32 0.43 0.00 0.00 0.00 0.00 175.76 176.13 1wg7 s ALA 106 N 0.58 4.18 0.08 0.00 0.00 -0.72 0.46 121.76 126.34 1wg7 s ALA 106 Ca -0.01 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.12 1wg7 s ALA 106 Cb -0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 23.12 21.69 1wg7 s ALA 106 CO -0.05 -0.26 1.15 -0.44 0.00 0.00 0.00 175.76 176.15 1wg7 h ASP 107 N 0.92 0.24 -4.28 0.00 5.19 -1.88 -3.43 116.42 113.18 1wg7 h ASP 107 Ca -0.41 -0.27 -0.51 0.00 -0.62 0.00 0.00 57.03 55.22 1wg7 h ASP 107 Cb 1.27 -0.08 -0.23 0.00 0.18 0.00 0.00 39.33 40.48 1wg7 h ASP 107 CO 0.55 1.22 -0.81 -0.44 -3.12 0.00 0.00 179.24 176.63 1wg7 s SER 108 N -6.92 2.22 0.33 6.45 0.01 -1.26 -5.01 113.70 109.52 1wg7 s SER 108 Ca -0.03 -0.62 0.12 0.00 1.31 0.00 0.00 55.95 56.74 1wg7 s SER 108 Cb 0.08 -0.12 1.02 0.00 0.21 0.00 0.00 66.02 67.21 1wg7 s SER 108 CO 0.85 0.04 1.66 1.05 0.41 0.00 0.00 173.24 177.25 1wg7 h GLU 109 N 4.35 0.29 0.61 12.44 9.09 -1.95 0.11 114.58 139.52 1wg7 h GLU 109 Ca -0.43 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 58.93 1wg7 h GLU 109 Cb 1.18 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 1wg7 h GLU 109 CO 0.41 0.19 -0.43 -0.24 0.05 0.00 0.00 179.01 178.99 1wg7 h VAL 110 N 0.30 0.00 0.00 -1.06 3.04 -1.97 1.03 116.25 117.58 1wg7 h VAL 110 Ca 0.70 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.39 1wg7 h VAL 110 Cb 1.57 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1wg7 h VAL 110 CO -0.62 0.00 0.26 -0.33 -1.01 0.00 0.00 177.57 175.87 1wg7 h GLU 111 N -0.99 0.00 0.03 4.17 5.08 -1.28 1.18 114.58 122.77 1wg7 h GLU 111 Ca -0.08 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.97 1wg7 h GLU 111 Cb 0.81 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1wg7 h GLU 111 CO 0.04 0.00 -1.78 -0.12 -1.00 0.00 0.00 179.01 176.15 1wg7 n MET 112 N -2.70 0.66 0.05 2.33 1.56 -0.05 -4.02 117.12 114.94 1wg7 n MET 112 Ca -0.02 0.29 -0.14 0.00 -0.27 0.00 0.00 57.70 57.56 1wg7 n MET 112 Cb 0.31 -1.77 -0.14 0.00 2.15 0.00 0.00 33.22 33.77 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 0.17 0.02 2.12 4.11 0.57 -3.18 114.58 118.40 1wg7 h GLU 113 Ca -0.32 -0.29 0.01 0.00 0.07 0.00 0.00 59.36 58.83 1wg7 h GLU 113 Cb 2.02 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 31.36 1wg7 h GLU 113 CO 0.08 0.99 -0.22 0.93 0.07 0.00 0.00 179.01 180.87 1wg7 h GLU 114 N 0.05 -0.28 -0.44 1.06 5.08 0.97 0.21 114.58 121.22 1wg7 h GLU 114 Ca -0.22 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1wg7 h GLU 114 Cb 1.98 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 31.22 1wg7 h GLU 114 CO 0.14 -0.19 0.02 -1.49 -1.00 0.00 0.00 179.01 176.49 1wg7 h TRP 115 N -0.29 0.01 -0.96 4.33 4.06 -1.74 0.77 115.95 122.13 1wg7 h TRP 115 Ca 0.00 0.03 0.28 0.00 2.06 0.00 0.00 58.89 61.26 1wg7 h TRP 115 Cb 0.30 0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.49 1wg7 h TRP 115 CO -0.40 -0.07 0.80 0.82 -3.56 0.00 0.00 178.44 176.03 1wg7 h ILE 116 N 0.13 0.33 0.09 1.49 2.04 -1.35 1.61 117.51 121.86 1wg7 h ILE 116 Ca 0.22 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.74 1wg7 h ILE 116 Cb 0.32 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1wg7 h ILE 116 CO -0.35 0.00 -1.92 0.41 0.00 0.00 0.00 178.15 176.29 1wg7 n THR 117 N -3.91 1.74 0.09 -0.27 -1.04 0.22 -2.83 114.28 108.28 1wg7 n THR 117 Ca 0.20 -0.70 -0.13 0.00 -2.04 0.00 0.00 64.05 61.39 1wg7 n THR 117 Cb 1.12 -1.55 -0.08 0.00 -1.82 0.00 0.00 70.33 68.01 1wg7 n THR 117 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1wg7 h ILE 118 N 0.05 0.88 -0.19 12.58 5.03 0.46 0.14 117.51 136.46 1wg7 h ILE 118 Ca -0.39 -0.81 0.02 0.00 -0.12 0.00 0.00 64.86 63.57 1wg7 h ILE 118 Cb 2.03 1.33 -0.02 0.00 -3.03 0.00 0.00 36.82 37.12 1wg7 h ILE 118 CO 0.09 0.17 0.04 -0.07 -0.68 0.00 0.00 178.15 177.70 1wg7 h LEU 119 N -0.70 0.02 -2.07 1.44 4.07 0.18 0.50 115.31 118.74 1wg7 h LEU 119 Ca -0.03 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1wg7 h LEU 119 Cb 0.49 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 1wg7 h LEU 119 CO 0.05 0.04 -0.05 0.78 -1.08 0.00 0.00 178.44 178.17 1wg7 h ASN 120 N 0.12 0.00 0.70 -0.43 2.35 -1.54 0.22 115.58 117.00 1wg7 h ASN 120 Ca 0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1wg7 h ASN 120 Cb 0.08 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.46 1wg7 h ASN 120 CO -0.11 0.05 -0.34 0.11 -1.65 0.00 0.00 177.43 175.49 1wg7 h LYS 121 N 0.00 -0.90 0.00 0.81 1.57 0.14 1.03 116.57 119.21 1wg7 h LYS 121 Ca -0.00 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1wg7 h LYS 121 Cb 0.11 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1wg7 h LYS 121 CO 0.01 -0.60 -0.02 0.82 -0.57 0.00 0.00 179.45 179.08 1wg7 h ILE 122 N -1.25 0.16 0.02 1.86 5.03 -0.80 0.96 117.51 123.51 1wg7 h ILE 122 Ca -0.10 -0.20 -0.00 0.00 -0.12 0.00 0.00 64.86 64.45 1wg7 h ILE 122 Cb 0.72 1.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.67 1wg7 h ILE 122 CO 0.16 0.02 -0.01 -0.07 -0.68 0.00 0.00 178.15 177.57 1wg7 h LEU 123 N 0.00 -0.03 -0.63 1.44 4.07 -0.31 -1.11 115.31 118.74 1wg7 h LEU 123 Ca -0.00 -0.57 -0.11 0.00 0.08 0.00 0.00 57.88 57.28 1wg7 h LEU 123 Cb 0.16 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1wg7 h LEU 123 CO 0.00 0.74 -0.09 1.56 -1.08 0.00 0.00 178.44 179.56 1wg7 h GLN 124 N -0.97 0.98 -0.56 1.13 1.08 0.16 -2.79 115.11 114.13 1wg7 h GLN 124 Ca -0.00 -0.35 -0.11 0.00 -1.45 0.00 0.00 58.65 56.74 1wg7 h GLN 124 Cb 0.60 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1wg7 h GLN 124 CO 0.01 1.02 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.75 1wg7 h LEU 125 N 0.88 1.04 -1.41 1.46 4.07 0.83 -2.42 115.31 119.76 1wg7 h LEU 125 Ca 0.14 -0.33 0.21 0.00 0.08 0.00 0.00 57.88 57.97 1wg7 h LEU 125 Cb 0.64 -0.28 -0.08 0.00 1.08 0.00 0.00 40.66 42.02 1wg7 h LEU 125 CO 0.04 1.13 0.61 0.78 -1.08 0.00 0.00 178.44 179.93 1wg7 h ASN 126 N 0.93 0.48 -0.51 -0.43 2.35 -0.93 1.08 115.58 118.55 1wg7 h ASN 126 Ca 0.15 0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 1wg7 h ASN 126 Cb 0.65 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1wg7 h ASN 126 CO 0.04 0.18 -0.13 0.15 -1.65 0.00 0.00 177.43 176.02 1wg7 h PHE 127 N 0.48 1.13 0.00 1.19 3.04 -1.29 -1.66 116.94 119.82 1wg7 h PHE 127 Ca 0.50 -0.25 -0.07 0.00 3.98 0.00 0.00 57.97 62.14 1wg7 h PHE 127 Cb 1.15 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1wg7 h PHE 127 CO -0.00 1.06 -0.33 0.93 -2.02 0.00 0.00 178.31 177.95 1wg7 h GLU 128 N 0.87 0.00 -0.23 1.11 5.08 -0.35 -3.16 114.58 117.90 1wg7 h GLU 128 Ca 0.13 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 1wg7 h GLU 128 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1wg7 h GLU 128 CO 0.05 0.33 -0.56 0.00 -1.00 0.00 0.00 179.01 177.83 1wg7 h ALA 129 N 1.67 0.59 -0.19 3.43 0.00 0.13 0.31 119.26 125.19 1wg7 h ALA 129 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wg7 h ALA 129 Cb 1.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1wg7 h ALA 129 CO 0.04 0.69 0.12 0.00 0.00 0.00 0.00 179.25 180.10 1wg7 h ALA 130 N 0.84 0.25 0.00 0.00 0.00 -1.28 0.85 119.26 119.91 1wg7 h ALA 130 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1wg7 h ALA 130 Cb 1.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1wg7 h ALA 130 CO 0.11 -0.26 -0.46 0.52 0.00 0.00 0.00 179.25 179.16 1wg7 h MET 131 N 0.25 0.00 -0.00 0.00 2.07 -1.53 -1.56 114.93 114.15 1wg7 h MET 131 Ca 0.07 0.00 -0.24 0.00 -2.07 0.00 0.00 59.70 57.46 1wg7 h MET 131 Cb -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.73 1wg7 h MET 131 CO -0.01 0.46 -0.98 1.96 1.07 0.00 0.00 176.91 179.41 1wg7 h GLN 132 N 0.00 0.53 0.00 1.72 1.08 -0.23 -3.17 115.11 115.04 1wg7 h GLN 132 Ca -0.00 -0.57 -0.12 0.00 -1.45 0.00 0.00 58.65 56.51 1wg7 h GLN 132 Cb 0.87 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 1wg7 h GLN 132 CO 0.06 1.19 -0.57 0.93 -0.95 0.00 0.00 178.83 179.49 1wg7 h GLU 133 N 0.30 0.00 -0.48 1.46 4.39 0.86 -3.11 114.58 118.01 1wg7 h GLU 133 Ca -0.10 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.70 1wg7 h GLU 133 Cb 1.62 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.18 1wg7 h GLU 133 CO 0.18 0.57 -0.06 0.87 -1.16 0.00 0.00 179.01 179.42 1wg7 h LYS 134 N 0.00 0.05 -1.53 2.33 1.79 -1.26 0.10 116.57 118.06 1wg7 h LYS 134 Ca -0.01 -0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.82 1wg7 h LYS 134 Cb 1.03 -0.01 -0.25 0.00 -1.58 0.00 0.00 32.23 31.42 1wg7 h LYS 134 CO 0.07 0.04 0.82 0.54 -1.08 0.00 0.00 179.45 179.84 1wg7 n ARG 135 N -5.28 2.56 -2.92 3.15 5.12 -1.18 -4.45 116.66 113.66 1wg7 n ARG 135 Ca 0.04 -3.03 0.02 0.00 -1.93 0.00 0.00 57.85 52.96 1wg7 n ARG 135 Cb 0.26 -2.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.38 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 -1.05 -0.60 -0.35 0.55 2.47 0.02 -5.04 114.94 110.93 1wg7 s ASN 136 Ca 0.56 -0.23 -0.17 0.00 0.42 0.00 0.00 52.86 53.43 1wg7 s ASN 136 Cb 0.44 0.89 0.02 0.00 -1.45 0.00 0.00 41.25 41.15 1wg7 s ASN 136 CO -0.17 -0.08 0.41 0.61 -3.72 0.00 0.00 177.10 174.15 1wg7 n GLY 137 N 4.11 -1.33 3.37 1.21 0.00 -1.25 -4.66 105.19 106.62 1wg7 n GLY 137 Ca 0.07 0.90 -0.12 0.00 0.00 0.00 0.00 46.02 46.87 1wg7 n GLY 137 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wg7 s ASP 138 N -1.88 0.35 0.20 1.61 -4.77 -1.26 -4.87 116.67 106.06 1wg7 s ASP 138 Ca 0.20 -1.31 0.00 0.00 -3.30 0.00 0.00 52.55 48.14 1wg7 s ASP 138 Cb -0.04 0.50 0.00 0.00 -1.09 0.00 0.00 42.92 42.29 1wg7 s ASP 138 CO 0.70 -1.02 0.00 -0.24 0.70 0.00 0.00 175.17 175.31 1wg7 n SER 139 N -0.61 0.39 0.00 2.11 2.88 -1.26 -5.11 113.62 112.02 1wg7 n SER 139 Ca 0.01 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1wg7 n SER 139 Cb 0.64 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1wg7 n SER 139 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1wg7 n HIS 140 N -3.47 0.00 -2.11 0.66 -0.00 -1.26 -5.08 115.22 103.96 1wg7 n HIS 140 Ca 0.00 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 1wg7 n HIS 140 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1wg7 n HIS 140 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1wg7 n GLU 141 N -0.17 -0.55 0.00 1.57 2.13 -1.26 -5.05 120.64 117.31 1wg7 n GLU 141 Ca 0.00 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1wg7 n GLU 141 Cb 0.00 -3.17 0.00 0.00 0.27 0.00 0.00 31.44 28.54 1wg7 n GLU 141 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1wg7 n ASP 142 N -1.24 0.00 -3.15 4.31 -0.08 -1.26 -5.14 116.55 109.99 1wg7 n ASP 142 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 1wg7 n ASP 142 Cb 0.48 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.92 1wg7 n ASP 142 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1wg7 s ASP 143 N 0.00 -0.61 -0.57 1.67 -4.77 -1.26 -4.85 116.67 106.28 1wg7 s ASP 143 Ca 0.00 0.32 0.06 0.00 -3.30 0.00 0.00 52.55 49.64 1wg7 s ASP 143 Cb 0.00 1.49 0.29 0.00 -1.09 0.00 0.00 42.92 43.61 1wg7 s ASP 143 CO 0.00 -0.11 0.79 -0.62 0.70 0.00 0.00 175.17 175.92 1wg7 n GLU 144 N 5.42 2.43 -1.11 2.11 -0.58 -1.26 -5.08 120.64 122.57 1wg7 n GLU 144 Ca -0.04 -4.47 0.15 0.00 -0.42 0.00 0.00 57.16 52.38 1wg7 n GLU 144 Cb 0.54 -2.09 -0.04 0.00 -0.57 0.00 0.00 31.44 29.28 1wg7 n GLU 144 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wg7 n SER 145 N 0.51 -6.65 -4.77 1.62 2.88 -1.26 -4.84 113.62 101.11 1wg7 n SER 145 Ca 0.29 0.60 -0.33 0.00 -1.33 0.00 0.00 58.87 58.11 1wg7 n SER 145 Cb 0.44 -3.47 0.06 0.00 -0.75 0.00 0.00 64.21 60.48 1wg7 n SER 145 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wg7 s GLY 146 N -6.32 2.05 -0.03 0.46 0.00 -1.26 -5.01 107.32 97.22 1wg7 s GLY 146 Ca 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 44.72 45.17 1wg7 s GLY 146 CO 0.00 0.84 0.31 -0.56 0.00 0.00 0.00 173.10 173.69 1wg7 h PRO 147 N -0.23 -0.15 -5.40 2.90 0.13 -1.94 -3.50 132.00 123.82 1wg7 h PRO 147 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wg7 h PRO 147 Cb 1.24 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1wg7 h PRO 147 CO 0.53 -0.10 -1.07 0.43 -0.23 0.00 0.00 178.00 177.57 1wg7 n SER 148 N -3.36 -6.08 -4.88 1.44 7.64 -1.26 -4.98 113.62 102.14 1wg7 n SER 148 Ca -0.02 1.21 -0.35 0.00 1.01 0.00 0.00 58.87 60.72 1wg7 n SER 148 Cb 0.06 -4.42 -0.05 0.00 -1.01 0.00 0.00 64.21 58.79 1wg7 n SER 148 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg7 s SER 149 N -1.20 6.48 0.00 6.43 0.01 -1.26 -5.25 113.70 118.91 1wg7 s SER 149 Ca -0.06 0.55 0.09 0.00 1.31 0.00 0.00 55.95 57.84 1wg7 s SER 149 Cb 0.00 -2.09 0.07 0.00 0.21 0.00 0.00 66.02 64.22 1wg7 s SER 149 CO 0.60 0.28 0.80 0.61 0.41 0.00 0.00 173.24 175.94