#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 5.71 0.15 1.61 0.01 -1.26 -4.80 113.70 115.12 1wg7 s SER 2 Ca 0.00 -1.66 -0.29 0.00 1.31 0.00 0.00 55.95 55.31 1wg7 s SER 2 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1wg7 s SER 2 CO 0.00 -2.32 1.56 -1.28 0.41 0.00 0.00 173.24 171.61 1wg7 h SER 3 N 9.46 -1.73 0.00 2.44 0.87 -2.12 -3.42 113.55 119.04 1wg7 h SER 3 Ca 0.25 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1wg7 h SER 3 Cb 0.94 0.75 0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1wg7 h SER 3 CO 1.31 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.86 1wg7 n GLY 4 N -1.38 -1.25 2.60 5.77 0.00 -1.26 -5.12 105.19 104.55 1wg7 n GLY 4 Ca -0.01 0.94 -0.24 0.00 0.00 0.00 0.00 46.02 46.72 1wg7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg7 s SER 5 N 0.00 2.33 -0.06 1.61 0.15 -1.26 -5.13 113.70 111.34 1wg7 s SER 5 Ca 0.00 -1.73 0.00 0.00 0.70 0.00 0.00 55.95 54.92 1wg7 s SER 5 Cb 0.00 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 1wg7 s SER 5 CO 0.00 -0.32 -0.05 -0.94 1.20 0.00 0.00 173.24 173.14 1wg7 s SER 6 N 1.45 4.82 0.00 5.45 1.04 -1.26 -4.95 113.70 120.25 1wg7 s SER 6 Ca 0.16 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1wg7 s SER 6 Cb -0.19 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.69 1wg7 s SER 6 CO -0.09 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1wg7 n GLY 7 N 2.08 1.05 3.64 7.32 0.00 -1.26 -5.18 105.19 112.84 1wg7 n GLY 7 Ca -0.18 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -2.16 -0.46 4.61 0.00 -1.26 -5.11 121.76 117.38 1wg7 s ALA 8 Ca 0.00 1.83 0.03 0.00 0.00 0.00 0.00 51.96 53.82 1wg7 s ALA 8 Cb 0.00 -1.65 0.21 0.00 0.00 0.00 0.00 23.12 21.68 1wg7 s ALA 8 CO 0.00 -0.19 0.89 0.00 0.00 0.00 0.00 175.76 176.45 1wg7 n ALA 9 N 2.14 -2.39 -2.75 0.00 0.00 -1.26 -5.06 120.51 111.19 1wg7 n ALA 9 Ca -0.12 -0.77 -0.06 0.00 0.00 0.00 0.00 53.44 52.48 1wg7 n ALA 9 Cb 0.56 -2.03 0.03 0.00 0.00 0.00 0.00 19.45 18.01 1wg7 n ALA 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wg7 n SER 10 N 2.52 -3.13 -3.12 0.00 7.64 -1.26 -5.11 113.62 111.15 1wg7 n SER 10 Ca 0.14 -3.13 -0.17 0.00 1.01 0.00 0.00 58.87 56.72 1wg7 n SER 10 Cb 0.60 1.80 0.17 0.00 -1.01 0.00 0.00 64.21 65.77 1wg7 n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n LEU 11 N 2.19 0.00 0.00 -3.43 -0.00 -1.26 -4.49 117.00 110.01 1wg7 n LEU 11 Ca 0.13 -0.50 0.00 0.00 -0.00 0.00 0.00 56.01 55.64 1wg7 n LEU 11 Cb 0.60 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 1wg7 n LEU 11 CO 0.01 -2.25 0.00 0.61 -0.00 0.00 0.00 177.39 175.77 1wg7 n GLY 12 N -3.23 2.91 3.63 1.47 0.00 -1.26 -4.66 105.19 104.04 1wg7 n GLY 12 Ca 0.08 0.12 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.35 -1.42 1.61 2.88 -1.26 -5.02 113.62 109.06 1wg7 n SER 13 Ca 0.00 -1.53 0.18 0.00 -1.33 0.00 0.00 58.87 56.19 1wg7 n SER 13 Cb 0.00 2.16 -0.06 0.00 -0.75 0.00 0.00 64.21 65.55 1wg7 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wg7 n GLN 14 N -0.76 -2.99 -3.08 -1.46 6.02 -1.26 -4.91 117.38 108.94 1wg7 n GLN 14 Ca 0.01 2.19 -0.03 0.00 -0.01 0.00 0.00 57.00 59.16 1wg7 n GLN 14 Cb 0.54 -3.60 0.00 0.00 1.02 0.00 0.00 30.24 28.20 1wg7 n GLN 14 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1wg7 n LYS 15 N -4.20 -0.37 0.00 -1.09 5.02 -1.26 -4.57 118.16 111.69 1wg7 n LYS 15 Ca -0.03 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1wg7 n LYS 15 Cb 0.68 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 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 1.13 0.84 3.35 0.72 0.00 -1.26 -5.04 105.19 104.94 1wg7 n GLY 16 Ca -0.01 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.14 3.53 -0.02 0.00 -1.26 -5.02 105.19 101.29 1wg7 n GLY 17 Ca 0.00 0.54 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.35 2.90 0.00 -0.61 1.01 -1.26 -5.12 121.20 114.77 1wg7 s ILE 18 Ca 0.39 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 59.01 1wg7 s ILE 18 Cb -0.08 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1wg7 s ILE 18 CO 0.78 -0.28 0.00 1.07 0.00 0.00 0.00 174.94 176.51 1wg7 n THR 19 N -0.40 0.00 -3.59 2.92 5.66 -1.26 -4.80 114.28 112.82 1wg7 n THR 19 Ca -0.08 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.94 1wg7 n THR 19 Cb 0.58 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1wg7 n THR 19 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1wg7 s LYS 20 N -2.00 0.19 -0.20 1.09 1.02 -1.26 -5.04 119.74 113.54 1wg7 s LYS 20 Ca 0.00 -0.10 -0.16 0.00 0.02 0.00 0.00 55.97 55.73 1wg7 s LYS 20 Cb 0.00 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.43 1wg7 s LYS 20 CO 0.00 -0.09 0.53 -3.38 -0.92 0.00 0.00 175.35 171.49 1wg7 s HIS 21 N -2.21 -0.65 0.00 3.18 -3.43 -1.26 -2.81 115.29 108.11 1wg7 s HIS 21 Ca 0.14 1.48 0.00 0.00 -0.80 0.00 0.00 55.06 55.88 1wg7 s HIS 21 Cb 0.05 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 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 3.27 1.27 3.57 -1.38 0.00 -1.22 -5.04 105.19 105.66 1wg7 n GLY 22 Ca -0.16 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 2.45 0.27 1.61 0.52 -1.26 -1.47 118.94 119.06 1wg7 s TRP 23 Ca 0.00 0.37 0.08 0.00 0.02 0.00 0.00 56.10 56.56 1wg7 s TRP 23 Cb 0.00 -4.49 -0.04 0.00 -1.15 0.00 0.00 33.47 27.79 1wg7 s TRP 23 CO 0.00 -1.78 0.18 -1.17 0.02 0.00 0.00 176.95 174.19 1wg7 s LEU 24 N 5.43 3.67 -0.12 2.99 2.96 0.92 -4.82 118.68 129.71 1wg7 s LEU 24 Ca 0.45 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1wg7 s LEU 24 Cb -0.09 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 1wg7 s LEU 24 CO 0.24 -0.08 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.76 1wg7 s TYR 25 N -2.20 2.83 0.09 5.38 1.51 -1.04 0.01 117.35 123.93 1wg7 s TYR 25 Ca 0.34 -0.52 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 1wg7 s TYR 25 Cb -0.07 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1wg7 s TYR 25 CO 0.24 -0.13 -0.08 0.21 -1.11 0.00 0.00 175.55 174.69 1wg7 s LYS 26 N 0.19 2.26 0.24 -0.62 2.20 0.18 -2.05 119.74 122.14 1wg7 s LYS 26 Ca -0.07 -0.95 -0.09 0.00 -0.36 0.00 0.00 55.97 54.50 1wg7 s LYS 26 Cb -0.15 -2.37 0.04 0.00 -1.51 0.00 0.00 37.83 33.84 1wg7 s LYS 26 CO 0.05 0.53 0.50 0.41 -0.36 0.00 0.00 175.35 176.47 1wg7 n GLY 27 N 0.79 1.34 3.17 5.54 0.00 0.28 -0.66 105.19 115.65 1wg7 n GLY 27 Ca -0.13 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 1wg7 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wg7 s ASN 28 N -2.30 3.94 0.68 1.61 2.47 -1.24 -0.37 114.94 119.73 1wg7 s ASN 28 Ca 0.10 -0.83 -0.16 0.00 0.42 0.00 0.00 52.86 52.39 1wg7 s ASN 28 Cb -0.03 -1.59 0.01 0.00 -1.45 0.00 0.00 41.25 38.19 1wg7 s ASN 28 CO 0.07 -0.08 1.23 -0.32 -3.72 0.00 0.00 177.10 174.28 1wg7 s MET 29 N 1.30 2.41 0.00 0.43 1.75 -1.25 -3.98 119.30 119.94 1wg7 s MET 29 Ca 0.01 1.84 0.00 0.00 -1.25 0.00 0.00 55.69 56.29 1wg7 s MET 29 Cb -0.16 -1.86 0.00 0.00 2.84 0.00 0.00 34.83 35.66 1wg7 s MET 29 CO -0.07 -1.65 0.00 -1.71 -0.65 0.00 0.00 175.02 170.94 1wg7 n ASN 30 N -2.30 0.00 0.00 1.11 5.15 -1.26 -4.72 115.26 113.24 1wg7 n ASN 30 Ca 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 1wg7 n ASN 30 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1wg7 n ASN 30 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wg7 n SER 31 N 0.00 0.00 -4.69 1.20 7.64 -1.26 -3.38 113.62 113.13 1wg7 n SER 31 Ca 0.00 0.80 -0.51 0.00 1.01 0.00 0.00 58.87 60.17 1wg7 n SER 31 Cb 0.00 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 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 -2.19 0.51 -0.12 -0.43 0.00 -1.26 -4.70 120.51 112.33 1wg7 n ALA 32 Ca 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 53.44 53.72 1wg7 n ALA 32 Cb 0.00 -2.40 0.03 0.00 0.00 0.00 0.00 19.45 17.08 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 5.29 0.72 -1.13 0.00 6.09 -1.98 1.43 117.51 127.93 1wg7 h ILE 33 Ca -0.48 -0.04 0.33 0.00 -1.37 0.00 0.00 64.86 63.30 1wg7 h ILE 33 Cb 1.29 0.59 -0.05 0.00 0.47 0.00 0.00 36.82 39.12 1wg7 h ILE 33 CO 0.95 0.02 0.83 0.28 -3.07 0.00 0.00 178.15 177.16 1wg7 h SER 34 N 0.12 0.00 0.03 2.19 0.02 -1.91 0.86 113.55 114.86 1wg7 h SER 34 Ca 0.19 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.81 1wg7 h SER 34 Cb 0.26 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1wg7 h SER 34 CO -0.31 0.00 -1.85 0.52 -1.14 0.00 0.00 176.83 174.05 1wg7 n VAL 35 N -4.16 1.59 -0.41 2.27 0.31 0.88 -3.26 118.33 115.55 1wg7 n VAL 35 Ca 0.24 -0.32 0.34 0.00 -0.01 0.00 0.00 64.34 64.60 1wg7 n VAL 35 Cb 1.21 -1.87 0.65 0.00 -0.91 0.00 0.00 33.84 32.92 1wg7 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wg7 h THR 36 N -0.63 0.28 0.05 2.52 1.03 0.37 0.19 112.91 116.72 1wg7 h THR 36 Ca -0.47 -0.05 -0.11 0.00 -0.01 0.00 0.00 66.41 65.77 1wg7 h THR 36 Cb 1.61 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1wg7 h THR 36 CO -0.17 0.03 -0.52 0.24 -0.01 0.00 0.00 175.52 175.08 1wg7 h MET 37 N 0.15 0.11 -2.91 0.00 2.86 -1.07 -3.30 114.93 110.77 1wg7 h MET 37 Ca 0.72 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 58.03 1wg7 h MET 37 Cb 2.34 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 34.04 1wg7 h MET 37 CO -0.26 1.09 -0.15 0.54 1.06 0.00 0.00 176.91 179.19 1wg7 n ARG 38 N -4.38 -1.81 -1.40 1.72 5.12 0.66 -1.46 116.66 115.12 1wg7 n ARG 38 Ca -0.15 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 1wg7 n ARG 38 Cb 0.65 -4.70 0.00 0.00 -1.16 0.00 0.00 32.46 27.24 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 -0.66 -1.86 -4.69 0.55 7.64 -1.26 -4.91 113.62 108.42 1wg7 n SER 39 Ca -0.08 0.00 -0.62 0.00 1.01 0.00 0.00 58.87 59.19 1wg7 n SER 39 Cb 0.38 -0.79 -0.08 0.00 -1.01 0.00 0.00 64.21 62.71 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 -1.08 1.69 -3.94 1.43 3.01 -0.53 -4.93 117.46 113.12 1wg7 n PHE 40 Ca 0.00 0.88 -0.28 0.00 1.01 0.00 0.00 57.45 59.07 1wg7 n PHE 40 Cb 0.47 -2.30 -0.03 0.00 -0.01 0.00 0.00 39.48 37.60 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 2.57 3.44 -0.07 -1.08 -0.14 0.17 -4.93 119.74 119.70 1wg7 s LYS 41 Ca 0.99 -0.55 0.03 0.00 -1.36 0.00 0.00 55.97 55.08 1wg7 s LYS 41 Cb -1.27 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 31.87 1wg7 s LYS 41 CO 0.70 0.55 -0.14 0.50 -0.76 0.00 0.00 175.35 176.20 1wg7 s ARG 42 N -3.00 2.74 0.19 1.68 3.52 -1.26 0.49 118.95 123.31 1wg7 s ARG 42 Ca 0.35 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 55.15 1wg7 s ARG 42 Cb -0.12 -2.45 -0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1wg7 s ARG 42 CO 0.28 0.52 0.37 0.50 -0.81 0.00 0.00 175.30 176.16 1wg7 s ARG 43 N -0.45 1.29 -0.75 5.12 6.06 0.10 -4.95 118.95 125.37 1wg7 s ARG 43 Ca 0.06 -1.14 -0.21 0.00 -2.50 0.00 0.00 55.73 51.94 1wg7 s ARG 43 Cb -0.12 0.42 0.10 0.00 0.06 0.00 0.00 34.95 35.41 1wg7 s ARG 43 CO 0.02 -0.51 0.99 0.12 -2.50 0.00 0.00 175.30 173.42 1wg7 s PHE 44 N -3.97 2.88 -0.75 5.12 5.36 -0.85 -0.06 117.98 125.71 1wg7 s PHE 44 Ca 0.17 -0.91 -0.26 0.00 -0.96 0.00 0.00 56.93 54.98 1wg7 s PHE 44 Cb 0.02 -4.25 -0.03 0.00 -0.34 0.00 0.00 43.02 38.42 1wg7 s PHE 44 CO 0.02 -1.55 1.85 -0.06 -1.46 0.00 0.00 175.22 174.02 1wg7 s PHE 45 N 3.38 1.79 -0.34 10.12 0.40 -0.54 -2.69 117.98 130.09 1wg7 s PHE 45 Ca 0.24 0.61 -0.08 0.00 -0.60 0.00 0.00 56.93 57.10 1wg7 s PHE 45 Cb -0.13 -4.12 0.03 0.00 0.51 0.00 0.00 43.02 39.30 1wg7 s PHE 45 CO 0.02 -2.05 0.14 -1.58 0.70 0.00 0.00 175.22 172.45 1wg7 s HIS 46 N 9.15 3.23 0.23 0.36 5.65 0.18 -3.45 115.29 130.65 1wg7 s HIS 46 Ca 0.66 -1.14 -0.22 0.00 0.25 0.00 0.00 55.06 54.61 1wg7 s HIS 46 Cb -0.09 -2.34 -0.08 0.00 -1.18 0.00 0.00 32.58 28.88 1wg7 s HIS 46 CO 0.10 -0.66 0.77 -1.17 -0.65 0.00 0.00 174.74 173.13 1wg7 s LEU 47 N 1.48 4.39 -0.02 8.88 1.98 -1.12 -1.27 118.68 132.99 1wg7 s LEU 47 Ca 0.01 1.53 -0.09 0.00 -2.89 0.00 0.00 54.13 52.69 1wg7 s LEU 47 Cb -0.19 -3.60 0.01 0.00 0.66 0.00 0.00 46.19 43.07 1wg7 s LEU 47 CO 0.04 0.05 0.20 -0.51 -1.89 0.00 0.00 176.35 174.24 1wg7 s ILE 48 N -1.47 0.05 -0.39 6.68 2.07 -0.84 -4.53 121.20 122.78 1wg7 s ILE 48 Ca 0.43 -0.45 -0.22 0.00 -1.41 0.00 0.00 60.65 59.00 1wg7 s ILE 48 Cb -0.18 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 41.98 1wg7 s ILE 48 CO 0.22 -0.25 0.71 -1.58 -1.91 0.00 0.00 174.94 172.14 1wg7 s GLN 49 N -0.96 3.59 0.31 3.50 0.74 -1.26 -1.20 119.66 124.39 1wg7 s GLN 49 Ca -0.10 0.04 -0.05 0.00 0.05 0.00 0.00 55.36 55.30 1wg7 s GLN 49 Cb -0.05 -3.86 0.08 0.00 1.10 0.00 0.00 33.01 30.28 1wg7 s GLN 49 CO 0.02 -0.89 0.17 1.28 -0.55 0.00 0.00 175.29 175.32 1wg7 n LEU 50 N 6.34 0.00 -0.05 3.68 4.77 0.97 -4.94 117.00 127.77 1wg7 n LEU 50 Ca 0.01 -0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 55.80 1wg7 n LEU 50 Cb 0.48 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1wg7 n LEU 50 CO 0.53 -1.72 -0.11 1.23 -1.33 0.00 0.00 177.39 176.00 1wg7 h GLY 51 N -1.42 0.00 -1.80 -0.72 0.00 -1.89 -3.33 103.07 93.91 1wg7 h GLY 51 Ca -0.08 0.00 0.54 0.00 0.00 0.00 0.00 47.33 47.79 1wg7 h GLY 51 CO 0.05 0.00 1.28 1.22 0.00 0.00 0.00 176.54 179.08 1wg7 n ASP 52 N -4.45 0.04 0.00 0.19 8.00 -1.26 -4.57 116.55 114.50 1wg7 n ASP 52 Ca -0.02 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.50 1wg7 n ASP 52 Cb 0.08 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.81 1.17 2.40 0.44 0.00 -1.25 -4.89 105.19 101.25 1wg7 n GLY 53 Ca 0.42 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 1wg7 n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg7 n SER 54 N 0.00 -3.24 -4.27 1.61 7.64 -1.26 -4.59 113.62 109.50 1wg7 n SER 54 Ca 0.00 -0.72 -0.16 0.00 1.01 0.00 0.00 58.87 58.99 1wg7 n SER 54 Cb 0.00 -0.74 -0.10 0.00 -1.01 0.00 0.00 64.21 62.36 1wg7 n SER 54 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1wg7 s TYR 55 N -1.95 1.43 -0.14 1.43 1.51 -1.26 -0.02 117.35 118.35 1wg7 s TYR 55 Ca 0.50 -0.65 -0.06 0.00 -1.01 0.00 0.00 57.07 55.86 1wg7 s TYR 55 Cb -0.08 -0.71 0.06 0.00 -0.11 0.00 0.00 41.96 41.12 1wg7 s TYR 55 CO 0.41 0.18 0.30 -0.80 -1.11 0.00 0.00 175.55 174.54 1wg7 s ASN 56 N -3.00 -0.08 -0.57 2.29 -0.87 -0.34 -3.99 114.94 108.38 1wg7 s ASN 56 Ca 0.16 0.68 -0.21 0.00 -1.57 0.00 0.00 52.86 51.92 1wg7 s ASN 56 Cb -0.01 0.71 0.07 0.00 -0.02 0.00 0.00 41.25 42.00 1wg7 s ASN 56 CO 0.03 -0.21 0.77 -0.22 -2.57 0.00 0.00 177.10 174.91 1wg7 s LEU 57 N 1.89 4.82 0.17 0.60 1.98 -1.20 -1.99 118.68 124.96 1wg7 s LEU 57 Ca -0.04 -0.98 -0.04 0.00 -2.89 0.00 0.00 54.13 50.17 1wg7 s LEU 57 Cb -0.11 -2.46 -0.05 0.00 0.66 0.00 0.00 46.19 44.23 1wg7 s LEU 57 CO -0.10 -1.13 0.41 0.54 -1.89 0.00 0.00 176.35 174.18 1wg7 s ASN 58 N 3.19 6.48 -0.09 3.68 2.20 -0.40 -1.14 114.94 128.86 1wg7 s ASN 58 Ca 0.18 0.60 0.01 0.00 -0.94 0.00 0.00 52.86 52.71 1wg7 s ASN 58 Cb -0.19 -2.09 0.02 0.00 -2.00 0.00 0.00 41.25 36.99 1wg7 s ASN 58 CO 0.11 0.00 -0.10 0.72 -2.94 0.00 0.00 177.10 174.90 1wg7 s PHE 59 N -1.75 1.49 -0.01 1.54 -0.12 -1.25 0.50 117.98 118.39 1wg7 s PHE 59 Ca 0.41 -0.67 0.00 0.00 -0.05 0.00 0.00 56.93 56.62 1wg7 s PHE 59 Cb -0.12 -1.17 -0.04 0.00 -0.63 0.00 0.00 43.02 41.06 1wg7 s PHE 59 CO 0.26 -0.42 0.04 0.71 -0.05 0.00 0.00 175.22 175.76 1wg7 s TYR 60 N 1.25 3.19 0.58 3.49 1.51 -1.09 -2.55 117.35 123.73 1wg7 s TYR 60 Ca -0.03 0.16 0.32 0.00 -1.01 0.00 0.00 57.07 56.51 1wg7 s TYR 60 Cb -0.14 -1.72 1.33 0.00 -0.11 0.00 0.00 41.96 41.33 1wg7 s TYR 60 CO -0.03 0.51 1.63 -0.22 -1.11 0.00 0.00 175.55 176.33 1wg7 h LYS 61 N 4.32 0.00 0.00 -0.62 3.64 -1.92 -2.26 116.57 119.73 1wg7 h LYS 61 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1wg7 h LYS 61 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1wg7 h LYS 61 CO 0.59 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.52 1wg7 n ASP 62 N -3.66 0.00 0.05 4.20 9.92 -1.26 -4.72 116.55 121.08 1wg7 n ASP 62 Ca 0.22 -0.25 -0.14 0.00 -0.53 0.00 0.00 54.79 54.09 1wg7 n ASP 62 Cb 1.26 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 41.60 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 0.17 -5.65 -1.24 5.08 -1.94 -3.38 114.58 107.61 1wg7 h GLU 63 Ca 0.00 -0.29 -0.47 0.00 -1.00 0.00 0.00 59.36 57.60 1wg7 h GLU 63 Cb 0.00 0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1wg7 h GLU 63 CO 0.00 1.01 1.62 0.15 -1.00 0.00 0.00 179.01 180.78 1wg7 s LYS 64 N -2.63 2.18 0.00 2.33 1.02 -1.26 -4.89 119.74 116.48 1wg7 s LYS 64 Ca -0.07 1.42 0.00 0.00 0.02 0.00 0.00 55.97 57.35 1wg7 s LYS 64 Cb 0.08 -4.57 0.00 0.00 -0.52 0.00 0.00 37.83 32.82 1wg7 s LYS 64 CO 0.84 -3.19 0.00 0.44 -0.92 0.00 0.00 175.35 172.52 1wg7 n ILE 65 N 7.96 0.00 0.00 2.17 -5.35 -1.26 -4.70 119.36 118.17 1wg7 n ILE 65 Ca 0.36 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.84 1wg7 n ILE 65 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 -3.13 7.28 2.88 -1.26 -4.89 113.62 114.50 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 -0.75 -2.67 -1.46 5.02 -1.26 -4.91 118.16 112.13 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 -2.01 4.36 0.93 1.97 2.02 -1.26 -5.03 118.70 119.68 1wg7 s GLU 68 Ca 0.00 1.39 -0.13 0.00 0.02 0.00 0.00 54.97 56.25 1wg7 s GLU 68 Cb 0.00 -3.58 0.15 0.00 0.10 0.00 0.00 34.13 30.80 1wg7 s GLU 68 CO 0.00 -0.43 1.15 -1.25 0.02 0.00 0.00 175.26 174.75 1wg7 s PRO 69 N 2.44 0.95 0.14 0.39 0.04 -1.26 -4.98 135.00 132.73 1wg7 s PRO 69 Ca 0.47 0.22 0.05 0.00 0.04 0.00 0.00 61.00 61.78 1wg7 s PRO 69 Cb -0.17 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 1wg7 s PRO 69 CO 0.14 -2.31 1.31 0.87 0.04 0.00 0.00 177.00 177.05 1wg7 h LYS 70 N -1.58 0.07 0.00 4.56 1.79 -1.89 -3.49 116.57 116.03 1wg7 h LYS 70 Ca -0.50 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 1wg7 h LYS 70 Cb 1.32 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1wg7 h LYS 70 CO 0.58 0.98 0.00 0.41 -1.08 0.00 0.00 179.45 180.34 1wg7 n GLY 71 N 1.17 1.51 0.00 3.86 0.00 -1.26 -5.05 105.19 105.42 1wg7 n GLY 71 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.70 1.61 2.88 -1.26 -3.91 113.62 108.24 1wg7 n SER 72 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1wg7 n SER 72 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.70 5.17 -1.30 2.46 1.01 -0.29 -4.92 121.20 121.63 1wg7 s ILE 73 Ca 0.00 0.95 -0.15 0.00 0.00 0.00 0.00 60.65 61.45 1wg7 s ILE 73 Cb 0.00 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.76 1wg7 s ILE 73 CO 0.00 0.28 1.74 0.49 0.00 0.00 0.00 174.94 177.45 1wg7 n PHE 74 N 4.01 4.35 0.24 3.97 3.01 -1.26 -3.25 117.46 128.53 1wg7 n PHE 74 Ca -0.06 -3.02 0.16 0.00 1.01 0.00 0.00 57.45 55.54 1wg7 n PHE 74 Cb 0.51 -2.39 0.71 0.00 -0.01 0.00 0.00 39.48 38.30 1wg7 n PHE 74 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1wg7 h LEU 75 N 10.61 0.00 -2.05 4.37 3.38 -1.93 1.45 115.31 131.14 1wg7 h LEU 75 Ca 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 1wg7 h LEU 75 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1wg7 h LEU 75 CO 1.48 0.00 -0.09 -2.24 0.09 0.00 0.00 178.44 177.69 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 3.04 -1.86 -2.90 116.42 114.27 1wg7 h ASP 76 Ca 0.08 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.70 1wg7 h ASP 76 Cb 1.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.25 1wg7 h ASP 76 CO -0.00 0.09 -1.67 -1.20 -2.04 0.00 0.00 179.24 174.42 1wg7 n SER 77 N -3.59 2.55 -4.28 4.15 7.64 0.47 -5.01 113.62 115.55 1wg7 n SER 77 Ca -0.02 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.29 1wg7 n SER 77 Cb 0.21 0.80 -0.08 0.00 -1.01 0.00 0.00 64.21 64.13 1wg7 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 h MET 79 N 3.06 0.35 0.00 0.00 2.86 0.21 -3.46 114.93 117.96 1wg7 h MET 79 Ca -0.47 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 56.56 1wg7 h MET 79 Cb 1.34 0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.23 1wg7 h MET 79 CO 0.65 1.25 0.00 0.41 1.06 0.00 0.00 176.91 180.28 1wg7 n GLY 80 N 1.72 3.06 3.77 8.32 0.00 -1.12 -5.00 105.19 115.93 1wg7 n GLY 80 Ca -0.18 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 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 5.26 0.39 1.61 1.01 -1.26 -0.81 120.40 124.60 1wg7 s VAL 81 Ca 0.00 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.66 1wg7 s VAL 81 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1wg7 s VAL 81 CO 0.00 0.45 0.33 0.68 0.00 0.00 0.00 175.10 176.56 1wg7 s VAL 82 N 0.00 2.85 -0.24 2.92 -7.23 0.48 -4.97 120.40 114.21 1wg7 s VAL 82 Ca 0.19 -1.40 -0.07 0.00 -1.81 0.00 0.00 61.98 58.88 1wg7 s VAL 82 Cb -0.14 -3.04 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 1wg7 s VAL 82 CO 0.06 -0.05 0.07 -1.10 -0.31 0.00 0.00 175.10 173.77 1wg7 s GLN 83 N -4.06 3.69 0.43 4.82 -0.21 -1.26 -2.66 119.66 120.40 1wg7 s GLN 83 Ca 0.45 -0.47 0.08 0.00 0.02 0.00 0.00 55.36 55.44 1wg7 s GLN 83 Cb -0.03 -3.30 -0.01 0.00 1.00 0.00 0.00 33.01 30.67 1wg7 s GLN 83 CO 0.27 -0.13 0.41 -0.80 -2.12 0.00 0.00 175.29 172.92 1wg7 s ASN 84 N 1.45 5.10 0.00 5.90 0.01 0.99 -4.91 114.94 123.48 1wg7 s ASN 84 Ca 0.06 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 1wg7 s ASN 84 Cb -0.15 -0.52 0.00 0.00 0.41 0.00 0.00 41.25 41.00 1wg7 s ASN 84 CO 0.03 -0.70 0.00 -0.46 -1.51 0.00 0.00 177.10 174.46 1wg7 n ASN 85 N -1.61 0.00 -0.10 -1.22 0.23 -1.25 -4.25 115.26 107.07 1wg7 n ASN 85 Ca 0.04 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 54.01 1wg7 n ASN 85 Cb 0.62 0.17 -0.06 0.00 -2.08 0.00 0.00 39.78 38.42 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1wg7 h LYS 86 N 0.00 -0.21 -0.11 -3.83 1.79 -1.95 -2.43 116.57 109.83 1wg7 h LYS 86 Ca 0.00 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1wg7 h LYS 86 Cb 0.00 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1wg7 h LYS 86 CO 0.00 -0.14 -0.10 0.28 -1.08 0.00 0.00 179.45 178.41 1wg7 h VAL 87 N -0.22 0.00 -4.02 0.50 2.07 -1.95 -3.45 116.25 109.17 1wg7 h VAL 87 Ca 0.05 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.38 1wg7 h VAL 87 Cb 0.35 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.02 1wg7 h VAL 87 CO -0.37 0.00 -0.24 -0.13 0.02 0.00 0.00 177.57 176.85 1wg7 s ARG 88 N -3.47 1.64 0.08 1.57 0.52 -0.91 -5.06 118.95 113.32 1wg7 s ARG 88 Ca -0.02 -1.54 -0.25 0.00 -0.52 0.00 0.00 55.73 53.39 1wg7 s ARG 88 Cb 0.02 0.42 -0.16 0.00 0.52 0.00 0.00 34.95 35.75 1wg7 s ARG 88 CO 0.11 -0.66 1.71 0.00 0.02 0.00 0.00 175.30 176.47 1wg7 h ARG 89 N 2.26 -0.21 -3.04 3.54 2.47 -1.89 -3.31 114.38 114.20 1wg7 h ARG 89 Ca -0.29 0.01 -0.69 0.00 -1.26 0.00 0.00 59.98 57.76 1wg7 h ARG 89 Cb 1.25 0.05 -0.37 0.00 -1.65 0.00 0.00 29.97 29.25 1wg7 h ARG 89 CO 0.40 -0.14 -0.14 1.19 0.56 0.00 0.00 179.97 181.84 1wg7 n PHE 90 N -5.18 3.79 -4.08 3.04 3.72 -1.26 -4.74 117.46 112.75 1wg7 n PHE 90 Ca -0.09 -3.99 -0.17 0.00 -0.05 0.00 0.00 57.45 53.15 1wg7 n PHE 90 Cb 0.11 -0.98 -0.15 0.00 -0.94 0.00 0.00 39.48 37.52 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 -1.75 0.41 0.02 4.37 0.00 -1.25 -2.13 121.76 121.43 1wg7 s ALA 91 Ca 0.30 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1wg7 s ALA 91 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1wg7 s ALA 91 CO -0.09 0.03 -0.11 -0.59 0.00 0.00 0.00 175.76 175.00 1wg7 s PHE 92 N 0.40 0.95 -0.01 0.00 -0.71 0.30 -0.00 117.98 118.91 1wg7 s PHE 92 Ca -0.04 -0.29 -0.04 0.00 -1.04 0.00 0.00 56.93 55.51 1wg7 s PHE 92 Cb -0.08 -0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 41.11 1wg7 s PHE 92 CO -0.01 -0.00 0.21 -2.00 -1.34 0.00 0.00 175.22 172.08 1wg7 s GLU 93 N -0.83 3.49 -0.50 1.99 2.12 -1.09 0.96 118.70 124.85 1wg7 s GLU 93 Ca 0.00 -0.21 -0.12 0.00 0.36 0.00 0.00 54.97 55.00 1wg7 s GLU 93 Cb -0.06 -3.10 0.12 0.00 0.26 0.00 0.00 34.13 31.35 1wg7 s GLU 93 CO 0.00 0.68 0.41 -0.51 -0.54 0.00 0.00 175.26 175.30 1wg7 s LEU 94 N -1.78 5.88 -0.88 2.70 2.01 0.25 -0.39 118.68 126.47 1wg7 s LEU 94 Ca 0.26 -1.82 -0.25 0.00 0.01 0.00 0.00 54.13 52.34 1wg7 s LEU 94 Cb -0.13 -2.10 -0.06 0.00 0.01 0.00 0.00 46.19 43.91 1wg7 s LEU 94 CO 0.16 -0.76 2.00 -0.54 1.01 0.00 0.00 176.35 178.23 1wg7 s LYS 95 N 1.48 2.44 0.11 1.70 -0.14 0.01 -1.80 119.74 123.54 1wg7 s LYS 95 Ca 0.04 -0.17 -0.16 0.00 -1.36 0.00 0.00 55.97 54.33 1wg7 s LYS 95 Cb -0.28 -5.01 -0.07 0.00 -1.68 0.00 0.00 37.83 30.80 1wg7 s LYS 95 CO 0.01 -3.48 0.54 -1.64 -0.76 0.00 0.00 175.35 170.02 1wg7 s MET 96 N 7.23 4.05 -0.11 1.68 -1.94 0.40 0.21 119.30 130.83 1wg7 s MET 96 Ca 0.73 0.57 0.19 0.00 -1.71 0.00 0.00 55.69 55.47 1wg7 s MET 96 Cb -0.08 -3.07 -0.27 0.00 2.01 0.00 0.00 34.83 33.43 1wg7 s MET 96 CO 0.01 0.56 0.30 0.94 -0.01 0.00 0.00 175.02 176.81 1wg7 n GLN 97 N 1.22 0.67 0.31 2.03 7.27 -1.20 -3.95 117.38 123.74 1wg7 n GLN 97 Ca -0.08 -0.04 0.19 0.00 0.07 0.00 0.00 57.00 57.14 1wg7 n GLN 97 Cb 0.51 -1.56 0.99 0.00 2.41 0.00 0.00 30.24 32.60 1wg7 n GLN 97 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1wg7 h ASP 98 N 0.00 0.00 0.00 1.69 2.03 -1.90 -3.45 116.42 114.79 1wg7 h ASP 98 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 1wg7 h ASP 98 Cb 1.77 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.27 1wg7 h ASP 98 CO 0.02 0.02 0.00 0.29 -1.03 0.00 0.00 179.24 178.55 1wg7 n LYS 99 N -3.28 0.00 0.00 4.15 5.02 -1.26 -5.15 118.16 117.63 1wg7 n LYS 99 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1wg7 n LYS 99 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 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 0.00 0.00 -3.53 4.39 2.88 -1.25 -4.88 113.62 111.22 1wg7 n SER 100 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1wg7 n SER 100 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wg7 s SER 101 N 0.12 -0.56 0.10 -3.46 1.04 -1.26 -0.45 113.70 109.23 1wg7 s SER 101 Ca 0.00 0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.90 1wg7 s SER 101 Cb 0.00 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1wg7 s SER 101 CO 0.00 -0.68 0.05 -0.31 0.98 0.00 0.00 173.24 173.28 1wg7 s TYR 102 N -1.91 3.10 -0.49 5.02 2.02 -0.75 -4.62 117.35 119.73 1wg7 s TYR 102 Ca -0.08 0.02 -0.13 0.00 -0.37 0.00 0.00 57.07 56.52 1wg7 s TYR 102 Cb -0.01 -1.57 0.11 0.00 -0.40 0.00 0.00 41.96 40.09 1wg7 s TYR 102 CO 0.03 0.51 0.40 -1.17 -1.57 0.00 0.00 175.55 173.75 1wg7 s LEU 103 N -2.46 5.79 0.08 -1.29 0.20 0.50 0.84 118.68 122.34 1wg7 s LEU 103 Ca 0.28 -1.72 -0.07 0.00 0.69 0.00 0.00 54.13 53.30 1wg7 s LEU 103 Cb -0.12 -2.11 -0.05 0.00 -0.43 0.00 0.00 46.19 43.48 1wg7 s LEU 103 CO 0.21 -0.73 0.36 -0.76 -0.29 0.00 0.00 176.35 175.14 1wg7 s LEU 104 N 1.50 4.33 -0.29 -0.68 1.02 0.27 -0.56 118.68 124.27 1wg7 s LEU 104 Ca 0.04 0.67 -0.13 0.00 0.02 0.00 0.00 54.13 54.73 1wg7 s LEU 104 Cb -0.27 -3.00 0.11 0.00 0.02 0.00 0.00 46.19 43.04 1wg7 s LEU 104 CO 0.02 0.16 0.69 0.00 0.02 0.00 0.00 176.35 177.24 1wg7 s ALA 105 N -1.45 -1.99 0.46 4.21 0.00 -0.87 0.11 121.76 122.23 1wg7 s ALA 105 Ca 0.34 2.38 0.08 0.00 0.00 0.00 0.00 51.96 54.76 1wg7 s ALA 105 Cb -0.13 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.39 1wg7 s ALA 105 CO 0.20 -0.64 0.52 0.00 0.00 0.00 0.00 175.76 175.84 1wg7 s ALA 106 N 2.21 4.37 0.07 0.00 0.00 -0.90 -2.48 121.76 125.02 1wg7 s ALA 106 Ca -0.08 -1.79 0.05 0.00 0.00 0.00 0.00 51.96 50.14 1wg7 s ALA 106 Cb -0.08 -1.24 -0.23 0.00 0.00 0.00 0.00 23.12 21.56 1wg7 s ALA 106 CO -0.19 -0.39 1.09 0.22 0.00 0.00 0.00 175.76 176.48 1wg7 h ASP 107 N 0.71 0.11 -4.00 0.00 1.82 -1.87 -3.44 116.42 109.75 1wg7 h ASP 107 Ca -0.38 -0.14 -0.54 0.00 -0.39 0.00 0.00 57.03 55.58 1wg7 h ASP 107 Cb 1.28 -0.04 -0.21 0.00 0.68 0.00 0.00 39.33 41.05 1wg7 h ASP 107 CO 0.50 1.11 -0.81 -0.55 -1.61 0.00 0.00 179.24 177.89 1wg7 s SER 108 N -6.69 2.56 0.30 2.28 0.15 -1.26 -5.00 113.70 106.03 1wg7 s SER 108 Ca -0.02 -0.74 0.05 0.00 0.70 0.00 0.00 55.95 55.94 1wg7 s SER 108 Cb 0.09 -0.14 0.75 0.00 -1.71 0.00 0.00 66.02 65.00 1wg7 s SER 108 CO 0.83 0.03 1.74 1.05 1.20 0.00 0.00 173.24 178.09 1wg7 h GLU 109 N 3.83 0.57 0.45 5.44 4.11 -1.94 -0.07 114.58 126.97 1wg7 h GLU 109 Ca -0.45 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 1wg7 h GLU 109 Cb 1.19 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1wg7 h GLU 109 CO 0.43 0.37 -0.39 -0.24 0.07 0.00 0.00 179.01 179.25 1wg7 h VAL 110 N 0.58 0.00 0.00 -1.06 3.04 -1.97 1.24 116.25 118.08 1wg7 h VAL 110 Ca 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.26 1wg7 h VAL 110 Cb 1.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1wg7 h VAL 110 CO -0.45 0.00 0.26 -0.33 -1.01 0.00 0.00 177.57 176.04 1wg7 h GLU 111 N -0.83 0.00 0.02 4.17 5.08 -1.68 1.52 114.58 122.87 1wg7 h GLU 111 Ca -0.06 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.00 1wg7 h GLU 111 Cb 0.70 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1wg7 h GLU 111 CO -0.02 0.00 -1.74 1.98 -1.00 0.00 0.00 179.01 178.23 1wg7 h MET 112 N 0.00 0.05 0.13 2.33 4.05 0.85 -3.36 114.93 118.98 1wg7 h MET 112 Ca 0.00 -0.09 -0.34 0.00 -0.28 0.00 0.00 59.70 58.99 1wg7 h MET 112 Cb 0.52 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1wg7 h MET 112 CO 0.00 0.64 -1.76 1.05 0.23 0.00 0.00 176.91 177.07 1wg7 h GLU 113 N 0.01 0.28 -0.10 0.39 4.11 0.61 -3.21 114.58 116.67 1wg7 h GLU 113 Ca -0.30 -0.48 0.01 0.00 0.07 0.00 0.00 59.36 58.66 1wg7 h GLU 113 Cb 2.01 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 31.42 1wg7 h GLU 113 CO 0.08 1.15 -0.14 0.93 0.07 0.00 0.00 179.01 181.10 1wg7 h GLU 114 N 0.08 -0.10 0.03 1.06 5.08 0.17 0.38 114.58 121.27 1wg7 h GLU 114 Ca -0.33 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1wg7 h GLU 114 Cb 2.05 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 31.28 1wg7 h GLU 114 CO 0.14 -0.07 -0.30 -1.49 -1.00 0.00 0.00 179.01 176.29 1wg7 h TRP 115 N -0.11 -0.81 -1.53 4.33 4.06 -1.76 0.86 115.95 121.01 1wg7 h TRP 115 Ca 0.02 0.02 0.50 0.00 2.06 0.00 0.00 58.89 61.50 1wg7 h TRP 115 Cb 0.15 0.35 -0.13 0.00 -1.00 0.00 0.00 29.16 28.54 1wg7 h TRP 115 CO -0.62 -0.39 1.01 0.82 -3.56 0.00 0.00 178.44 175.70 1wg7 h ILE 116 N -0.46 0.00 0.12 1.49 2.04 -1.37 1.58 117.51 120.91 1wg7 h ILE 116 Ca 0.05 -0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.61 1wg7 h ILE 116 Cb 0.53 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1wg7 h ILE 116 CO -0.23 0.00 -1.57 0.74 0.00 0.00 0.00 178.15 177.09 1wg7 h THR 117 N 0.00 0.92 0.83 -0.27 2.02 0.30 -2.84 112.91 113.86 1wg7 h THR 117 Ca 0.90 -2.38 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 1wg7 h THR 117 Cb 3.07 2.63 0.01 0.00 -1.74 0.00 0.00 68.15 72.12 1wg7 h THR 117 CO -0.37 0.73 -0.40 0.40 0.37 0.00 0.00 175.52 176.26 1wg7 h ILE 118 N -0.24 0.17 -0.41 3.11 5.03 0.80 1.40 117.51 127.37 1wg7 h ILE 118 Ca -0.34 -0.04 0.06 0.00 -0.12 0.00 0.00 64.86 64.42 1wg7 h ILE 118 Cb 1.82 0.18 -0.05 0.00 -3.03 0.00 0.00 36.82 35.73 1wg7 h ILE 118 CO 0.05 0.00 0.12 -0.07 -0.68 0.00 0.00 178.15 177.58 1wg7 h LEU 119 N -1.14 0.09 0.37 1.44 3.38 0.15 -1.71 115.31 117.90 1wg7 h LEU 119 Ca -0.11 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wg7 h LEU 119 Cb 0.86 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1wg7 h LEU 119 CO 0.19 0.09 -0.22 0.78 0.09 0.00 0.00 178.44 179.36 1wg7 h ASN 120 N 0.27 -0.56 -0.99 -0.43 2.35 -1.32 0.22 115.58 115.12 1wg7 h ASN 120 Ca 0.20 0.03 0.10 0.00 -0.55 0.00 0.00 56.30 56.08 1wg7 h ASN 120 Cb 0.21 0.16 -0.13 0.00 0.05 0.00 0.00 38.32 38.61 1wg7 h ASN 120 CO -0.22 -0.36 -0.54 0.11 -1.65 0.00 0.00 177.43 174.77 1wg7 h LYS 121 N -0.57 -0.01 -0.64 0.81 1.57 0.25 2.02 116.57 120.00 1wg7 h LYS 121 Ca -0.04 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1wg7 h LYS 121 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1wg7 h LYS 121 CO 0.05 -0.01 0.42 0.82 -0.57 0.00 0.00 179.45 180.16 1wg7 h ILE 122 N -0.01 1.14 0.28 1.86 5.03 -1.09 1.86 117.51 126.58 1wg7 h ILE 122 Ca 0.20 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1wg7 h ILE 122 Cb 0.46 0.23 -0.03 0.00 -3.03 0.00 0.00 36.82 34.45 1wg7 h ILE 122 CO -0.94 0.15 -0.33 -0.07 -0.68 0.00 0.00 178.15 176.28 1wg7 h LEU 123 N 0.84 -0.90 -0.11 1.44 4.07 0.40 1.58 115.31 122.64 1wg7 h LEU 123 Ca 0.24 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.27 1wg7 h LEU 123 Cb -0.07 0.31 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1wg7 h LEU 123 CO -0.06 -0.45 0.01 1.56 -1.08 0.00 0.00 178.44 178.42 1wg7 h GLN 124 N -0.66 0.19 -0.48 1.13 4.20 0.31 -2.55 115.11 117.25 1wg7 h GLN 124 Ca -0.01 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.71 1wg7 h GLN 124 Cb 0.61 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1wg7 h GLN 124 CO -0.09 0.41 0.32 -0.07 -0.67 0.00 0.00 178.83 178.73 1wg7 h LEU 125 N -0.06 0.33 -0.95 1.46 4.07 0.31 0.58 115.31 121.06 1wg7 h LEU 125 Ca 0.03 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.01 1wg7 h LEU 125 Cb 0.31 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 1wg7 h LEU 125 CO 0.00 0.22 0.63 0.78 -1.08 0.00 0.00 178.44 178.99 1wg7 h ASN 126 N 0.38 1.07 -0.13 -0.43 2.35 0.27 0.54 115.58 119.63 1wg7 h ASN 126 Ca 0.21 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1wg7 h ASN 126 Cb 0.35 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1wg7 h ASN 126 CO -0.05 0.76 -0.00 0.15 -1.65 0.00 0.00 177.43 176.64 1wg7 h PHE 127 N 1.26 0.25 0.00 1.19 3.57 -0.68 -2.06 116.94 120.48 1wg7 h PHE 127 Ca 0.36 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1wg7 h PHE 127 Cb -0.10 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 1wg7 h PHE 127 CO -0.01 0.47 -0.15 0.93 -2.23 0.00 0.00 178.31 177.32 1wg7 h GLU 128 N -0.03 0.00 -0.18 1.11 5.08 -0.95 -2.19 114.58 117.41 1wg7 h GLU 128 Ca 0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1wg7 h GLU 128 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1wg7 h GLU 128 CO 0.01 0.15 -0.55 0.00 -1.00 0.00 0.00 179.01 177.62 1wg7 h ALA 129 N 1.85 0.71 0.08 3.43 0.00 0.40 -1.40 119.26 124.33 1wg7 h ALA 129 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wg7 h ALA 129 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wg7 h ALA 129 CO 0.02 0.69 -0.06 0.00 0.00 0.00 0.00 179.25 179.90 1wg7 h ALA 130 N 0.98 -0.13 0.00 0.00 0.00 -0.72 0.74 119.26 120.13 1wg7 h ALA 130 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wg7 h ALA 130 Cb 1.09 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1wg7 h ALA 130 CO 0.10 -0.58 -0.16 0.52 0.00 0.00 0.00 179.25 179.14 1wg7 h MET 131 N -0.14 0.00 0.18 0.00 2.07 -1.49 0.20 114.93 115.75 1wg7 h MET 131 Ca -0.00 0.00 -0.30 0.00 -2.07 0.00 0.00 59.70 57.32 1wg7 h MET 131 Cb 0.12 0.00 0.03 0.00 -1.87 0.00 0.00 31.60 29.89 1wg7 h MET 131 CO 0.00 0.16 -1.29 1.96 1.07 0.00 0.00 176.91 178.81 1wg7 h GLN 132 N 0.00 0.56 -0.11 1.72 1.08 -0.28 -3.27 115.11 114.80 1wg7 h GLN 132 Ca -0.00 -0.84 -0.22 0.00 -1.45 0.00 0.00 58.65 56.13 1wg7 h GLN 132 Cb 0.48 0.30 0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1wg7 h GLN 132 CO 0.02 1.39 -0.82 0.93 -0.95 0.00 0.00 178.83 179.41 1wg7 h GLU 133 N 0.15 0.69 -0.74 1.46 5.08 0.79 -3.20 114.58 118.80 1wg7 h GLU 133 Ca -0.21 -0.59 0.17 0.00 -1.00 0.00 0.00 59.36 57.72 1wg7 h GLU 133 Cb 1.99 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 31.24 1wg7 h GLU 133 CO 0.25 1.20 -0.02 -0.22 -1.00 0.00 0.00 179.01 179.22 1wg7 h LYS 134 N 0.45 0.09 -2.10 2.33 3.64 -0.71 -0.20 116.57 120.07 1wg7 h LYS 134 Ca -0.06 -0.01 -0.73 0.00 -1.27 0.00 0.00 60.65 58.58 1wg7 h LYS 134 Cb 1.44 -0.02 -0.32 0.00 -0.41 0.00 0.00 32.23 32.92 1wg7 h LYS 134 CO 0.16 0.06 0.51 0.54 -2.27 0.00 0.00 179.45 178.44 1wg7 n ARG 135 N -5.36 4.08 -3.75 1.90 5.12 -1.21 -4.86 116.66 112.58 1wg7 n ARG 135 Ca 0.13 -4.39 -0.29 0.00 -1.93 0.00 0.00 57.85 51.36 1wg7 n ARG 135 Cb 0.45 -2.35 -0.13 0.00 -1.16 0.00 0.00 32.46 29.28 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 -1.96 3.74 -0.35 0.55 2.47 -0.09 -4.95 114.94 114.36 1wg7 s ASN 136 Ca 0.45 -2.74 0.14 0.00 0.42 0.00 0.00 52.86 51.14 1wg7 s ASN 136 Cb 0.30 -1.13 0.40 0.00 -1.45 0.00 0.00 41.25 39.37 1wg7 s ASN 136 CO -0.21 -0.25 0.86 0.61 -3.72 0.00 0.00 177.10 174.39 1wg7 n GLY 137 N 3.40 2.48 3.77 1.21 0.00 -1.26 -5.01 105.19 109.79 1wg7 n GLY 137 Ca 0.09 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.67 -0.22 0.00 1.61 -1.08 -1.26 -5.10 116.67 107.95 1wg7 s ASP 138 Ca 0.33 -0.45 0.00 0.00 -0.52 0.00 0.00 52.55 51.91 1wg7 s ASP 138 Cb 0.40 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 42.43 1wg7 s ASP 138 CO -0.02 -1.05 0.36 -0.24 0.52 0.00 0.00 175.17 174.74 1wg7 n SER 139 N -0.46 0.00 -1.95 -0.34 2.88 -1.26 -5.05 113.62 107.44 1wg7 n SER 139 Ca -0.06 0.56 -0.01 0.00 -1.33 0.00 0.00 58.87 58.04 1wg7 n SER 139 Cb 0.60 -0.35 -0.01 0.00 -0.75 0.00 0.00 64.21 63.71 1wg7 n SER 139 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wg7 n HIS 140 N -1.55 -3.19 -2.98 0.66 8.25 -1.26 -5.07 115.22 110.09 1wg7 n HIS 140 Ca 0.00 1.89 -0.03 0.00 -0.26 0.00 0.00 57.72 59.32 1wg7 n HIS 140 Cb 0.00 -3.22 0.01 0.00 1.12 0.00 0.00 29.99 27.90 1wg7 n HIS 140 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1wg7 n GLU 141 N 1.21 0.92 0.17 -0.41 1.02 -1.26 -5.07 120.64 117.21 1wg7 n GLU 141 Ca -0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.60 1wg7 n GLU 141 Cb 0.07 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 1wg7 n GLU 141 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wg7 n ASP 142 N -2.90 -1.83 -1.41 1.62 9.92 -1.26 -5.17 116.55 115.53 1wg7 n ASP 142 Ca 0.03 0.62 0.18 0.00 -0.53 0.00 0.00 54.79 55.08 1wg7 n ASP 142 Cb 0.10 1.84 -0.08 0.00 -0.64 0.00 0.00 41.12 42.33 1wg7 n ASP 142 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1wg7 n ASP 143 N -3.38 -8.19 -3.52 -2.24 8.00 -1.26 -4.99 116.55 100.98 1wg7 n ASP 143 Ca 0.00 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.67 1wg7 n ASP 143 Cb 0.00 -4.68 -0.04 0.00 -0.02 0.00 0.00 41.12 36.39 1wg7 n ASP 143 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wg7 s GLU 144 N -3.62 0.48 0.29 -1.24 2.56 -1.26 -5.17 118.70 110.75 1wg7 s GLU 144 Ca 0.00 1.17 0.06 0.00 0.00 0.00 0.00 54.97 56.20 1wg7 s GLU 144 Cb 0.00 0.70 -0.02 0.00 2.00 0.00 0.00 34.13 36.81 1wg7 s GLU 144 CO 0.00 -0.21 0.41 -1.12 -0.56 0.00 0.00 175.26 173.78 1wg7 s SER 145 N 2.76 6.06 0.00 -1.70 0.01 -1.26 -5.10 113.70 114.47 1wg7 s SER 145 Ca -0.02 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1wg7 s SER 145 Cb -0.10 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1wg7 s SER 145 CO -0.18 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1wg7 n GLY 146 N -1.51 -0.17 3.82 3.44 0.00 -1.26 -5.17 105.19 104.34 1wg7 n GLY 146 Ca -0.04 0.78 -0.31 0.00 0.00 0.00 0.00 46.02 46.45 1wg7 n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wg7 s PRO 147 N 0.00 2.96 -0.27 1.61 0.04 -1.26 -5.07 135.00 133.02 1wg7 s PRO 147 Ca 0.00 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 61.72 1wg7 s PRO 147 Cb 0.00 -1.99 0.18 0.00 0.04 0.00 0.00 34.50 32.72 1wg7 s PRO 147 CO 0.00 -1.08 1.29 0.45 0.04 0.00 0.00 177.00 177.70 1wg7 s SER 148 N -3.75 -0.13 0.05 6.66 0.15 -1.26 -5.17 113.70 110.26 1wg7 s SER 148 Ca 0.58 0.17 -0.03 0.00 0.70 0.00 0.00 55.95 57.37 1wg7 s SER 148 Cb -0.14 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1wg7 s SER 148 CO 0.54 -0.09 0.26 -0.44 1.20 0.00 0.00 173.24 174.71 1wg7 s SER 149 N -0.71 6.43 0.00 5.45 0.01 -1.26 -5.37 113.70 118.25 1wg7 s SER 149 Ca 0.06 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1wg7 s SER 149 Cb -0.02 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1wg7 s SER 149 CO -0.08 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.36