#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 -0.84 -3.56 1.61 7.64 -1.26 -5.17 113.62 112.04 1wg7 n SER 2 Ca 0.00 0.54 0.03 0.00 1.01 0.00 0.00 58.87 60.45 1wg7 n SER 2 Cb 0.00 0.98 -0.00 0.00 -1.01 0.00 0.00 64.21 64.18 1wg7 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wg7 s SER 3 N -4.49 -0.00 0.00 6.43 0.01 -1.26 -5.18 113.70 109.21 1wg7 s SER 3 Ca 0.00 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1wg7 s SER 3 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1wg7 s SER 3 CO 0.00 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1wg7 n GLY 4 N -0.44 3.88 2.66 3.44 0.00 -1.26 -5.02 105.19 108.44 1wg7 n GLY 4 Ca -0.08 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 1wg7 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wg7 n SER 5 N 0.00 3.58 -3.64 1.61 3.41 -1.26 -4.91 113.62 112.40 1wg7 n SER 5 Ca 0.00 -3.34 -0.33 0.00 -0.26 0.00 0.00 58.87 54.94 1wg7 n SER 5 Cb 0.00 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.23 1wg7 n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wg7 n SER 6 N 1.35 -5.13 0.00 4.04 2.88 -1.26 -4.54 113.62 110.96 1wg7 n SER 6 Ca 0.26 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1wg7 n SER 6 Cb 0.38 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1wg7 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg7 n GLY 7 N -0.84 0.83 0.15 0.46 0.00 -1.26 -4.87 105.19 99.66 1wg7 n GLY 7 Ca -0.20 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 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 2.88 0.03 -3.29 4.61 0.00 -1.26 -5.12 120.51 118.35 1wg7 n ALA 8 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1wg7 n ALA 8 Cb 0.00 0.07 0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.91 -0.85 -1.68 0.00 0.00 -1.26 -4.96 120.51 108.85 1wg7 n ALA 9 Ca -0.01 -0.36 -0.18 0.00 0.00 0.00 0.00 53.44 52.89 1wg7 n ALA 9 Cb 0.03 0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.88 -5.21 -4.62 0.00 7.64 -1.26 -4.95 113.62 104.34 1wg7 n SER 10 Ca -0.01 0.37 -0.36 0.00 1.01 0.00 0.00 58.87 59.87 1wg7 n SER 10 Cb 0.20 -4.30 -0.10 0.00 -1.01 0.00 0.00 64.21 58.99 1wg7 n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wg7 s LEU 11 N -4.33 3.94 0.00 -3.43 1.43 -1.26 -4.94 118.68 110.09 1wg7 s LEU 11 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1wg7 s LEU 11 Cb 0.00 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1wg7 s LEU 11 CO 0.00 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1wg7 n GLY 12 N 4.20 2.53 1.72 -3.19 0.00 -1.26 -2.66 105.19 106.53 1wg7 n GLY 12 Ca -0.16 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 1wg7 n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wg7 n SER 13 N 0.00 -0.35 -3.57 1.61 7.64 -1.15 -4.54 113.62 113.26 1wg7 n SER 13 Ca 0.00 -2.17 -0.13 0.00 1.01 0.00 0.00 58.87 57.58 1wg7 n SER 13 Cb 0.00 0.89 -0.05 0.00 -1.01 0.00 0.00 64.21 64.04 1wg7 n SER 13 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wg7 s GLN 14 N -2.73 1.05 0.36 1.43 -0.21 -1.26 -4.54 119.66 113.76 1wg7 s GLN 14 Ca 0.21 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.28 1wg7 s GLN 14 Cb 0.01 0.48 0.00 0.00 1.00 0.00 0.00 33.01 34.50 1wg7 s GLN 14 CO 0.15 -0.39 0.00 1.17 -2.12 0.00 0.00 175.29 174.10 1wg7 n LYS 15 N 0.28 -2.35 0.00 2.91 4.81 -1.26 -4.86 118.16 117.69 1wg7 n LYS 15 Ca -0.18 1.75 0.00 0.00 -0.87 0.00 0.00 58.31 59.01 1wg7 n LYS 15 Cb 0.61 -2.93 0.00 0.00 0.02 0.00 0.00 35.03 32.73 1wg7 n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wg7 n GLY 16 N -3.71 -1.84 0.00 3.14 0.00 -1.26 -5.10 105.19 96.42 1wg7 n GLY 16 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 1.70 -0.57 0.04 -0.02 0.00 -1.26 -5.16 105.19 99.92 1wg7 n GLY 17 Ca 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 5.97 0.00 0.00 -0.61 5.41 -1.26 -5.15 119.36 123.71 1wg7 n ILE 18 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1wg7 n ILE 18 Cb 0.00 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.47 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 -0.48 0.00 0.00 1.39 5.66 -1.26 -4.97 114.28 114.62 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 0.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 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 -0.50 0.00 -3.74 1.09 4.81 -1.26 -5.04 118.16 113.52 1wg7 n LYS 20 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 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 -1.79 -0.24 0.00 5.64 -3.43 -1.26 -2.40 115.29 111.81 1wg7 s HIS 21 Ca 0.00 0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 1wg7 s HIS 21 Cb 0.00 0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 1wg7 s HIS 21 CO 0.00 -0.38 0.00 0.41 -2.00 0.00 0.00 174.74 172.77 1wg7 n GLY 22 N 1.45 1.57 3.62 -1.38 0.00 -1.13 -5.03 105.19 104.28 1wg7 n GLY 22 Ca -0.20 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 1wg7 n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wg7 s TRP 23 N -2.00 3.25 0.44 1.61 0.52 -1.26 -0.74 118.94 120.77 1wg7 s TRP 23 Ca 0.00 0.78 0.04 0.00 0.02 0.00 0.00 56.10 56.93 1wg7 s TRP 23 Cb 0.00 -2.96 0.04 0.00 -1.15 0.00 0.00 33.47 29.39 1wg7 s TRP 23 CO 0.00 -0.42 0.31 1.28 0.02 0.00 0.00 176.95 178.14 1wg7 n LEU 24 N 5.87 0.00 -3.84 2.99 4.77 0.16 -4.69 117.00 122.27 1wg7 n LEU 24 Ca 0.01 -2.35 -0.30 0.00 -0.03 0.00 0.00 56.01 53.34 1wg7 n LEU 24 Cb 0.49 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1wg7 n LEU 24 CO 0.45 -0.51 -0.23 -0.31 -1.33 0.00 0.00 177.39 175.46 1wg7 s TYR 25 N -2.24 2.61 0.49 -1.77 1.51 0.12 -0.60 117.35 117.47 1wg7 s TYR 25 Ca 0.23 -2.77 -0.20 0.00 -1.01 0.00 0.00 57.07 53.33 1wg7 s TYR 25 Cb -0.02 -2.36 -0.08 0.00 -0.11 0.00 0.00 41.96 39.39 1wg7 s TYR 25 CO 0.15 -0.78 1.04 0.21 -1.11 0.00 0.00 175.55 175.06 1wg7 s LYS 26 N 0.15 3.79 0.05 -0.62 2.20 -0.02 -2.48 119.74 122.82 1wg7 s LYS 26 Ca 0.17 1.36 0.01 0.00 -0.36 0.00 0.00 55.97 57.14 1wg7 s LYS 26 Cb -0.25 -2.09 -0.00 0.00 -1.51 0.00 0.00 37.83 33.98 1wg7 s LYS 26 CO -0.01 -0.44 0.02 0.41 -0.36 0.00 0.00 175.35 174.97 1wg7 n GLY 27 N -0.26 3.99 0.10 5.54 0.00 0.41 -2.23 105.19 112.74 1wg7 n GLY 27 Ca 0.09 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.07 2.00 -1.31 1.61 5.15 -1.14 -4.33 115.26 115.17 1wg7 n ASN 28 Ca -0.01 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1wg7 n ASN 28 Cb 0.07 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1wg7 n ASN 28 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1wg7 n MET 29 N -2.98 -3.54 -3.73 1.20 2.81 0.31 -4.87 117.12 106.32 1wg7 n MET 29 Ca -0.34 2.58 -0.01 0.00 -1.81 0.00 0.00 57.70 58.11 1wg7 n MET 29 Cb 0.93 -2.78 0.02 0.00 -0.71 0.00 0.00 33.22 30.68 1wg7 n MET 29 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1wg7 n ASN 30 N 0.44 -1.47 0.00 7.83 3.02 -1.26 -4.72 115.26 119.10 1wg7 n ASN 30 Ca 0.00 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1wg7 n ASN 30 Cb 0.00 2.36 0.00 0.00 -0.61 0.00 0.00 39.78 41.53 1wg7 n ASN 30 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wg7 n SER 31 N -1.18 0.00 -3.75 6.41 7.64 -1.26 -4.24 113.62 117.24 1wg7 n SER 31 Ca -0.00 0.40 -0.21 0.00 1.01 0.00 0.00 58.87 60.06 1wg7 n SER 31 Cb 0.54 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.88 1wg7 n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n ALA 32 N -1.14 -1.53 -0.09 -0.43 0.00 -1.26 -4.75 120.51 111.31 1wg7 n ALA 32 Ca 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 53.44 52.21 1wg7 n ALA 32 Cb 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 1wg7 n ALA 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1wg7 n ILE 33 N -4.31 1.49 0.23 0.00 0.13 -1.26 -2.35 119.36 113.29 1wg7 n ILE 33 Ca 0.04 0.05 0.16 0.00 -1.10 0.00 0.00 62.75 61.90 1wg7 n ILE 33 Cb 0.42 -2.17 0.67 0.00 -0.84 0.00 0.00 39.64 37.71 1wg7 n ILE 33 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1wg7 h SER 34 N -1.00 0.00 0.11 9.51 0.02 -1.96 0.56 113.55 120.78 1wg7 h SER 34 Ca -0.23 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.35 1wg7 h SER 34 Cb 1.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 1wg7 h SER 34 CO -0.14 0.00 -2.11 0.55 -1.14 0.00 0.00 176.83 173.99 1wg7 n VAL 35 N -3.08 1.70 -0.32 2.27 3.14 -1.26 -1.53 118.33 119.25 1wg7 n VAL 35 Ca 0.02 -0.65 0.08 0.00 -2.96 0.00 0.00 64.34 60.83 1wg7 n VAL 35 Cb 0.60 -1.60 0.24 0.00 -1.06 0.00 0.00 33.84 32.02 1wg7 n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wg7 h THR 36 N 0.05 0.79 0.01 1.55 1.03 0.45 -2.38 112.91 114.41 1wg7 h THR 36 Ca -0.46 -0.26 -0.33 0.00 -0.01 0.00 0.00 66.41 65.35 1wg7 h THR 36 Cb 2.01 -0.03 -0.06 0.00 -1.07 0.00 0.00 68.15 69.00 1wg7 h THR 36 CO 0.05 0.14 -2.03 1.15 -0.01 0.00 0.00 175.52 174.81 1wg7 n MET 37 N -4.78 0.67 -3.77 0.00 0.00 -0.46 0.11 117.12 108.88 1wg7 n MET 37 Ca 0.18 0.18 -0.25 0.00 0.00 0.00 0.00 57.70 57.81 1wg7 n MET 37 Cb 0.42 -1.67 -0.07 0.00 0.00 0.00 0.00 33.22 31.91 1wg7 n MET 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1wg7 n ARG 38 N -2.99 -0.91 -1.88 3.17 1.74 -0.58 -1.55 116.66 113.66 1wg7 n ARG 38 Ca -0.26 0.07 -0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1wg7 n ARG 38 Cb 1.09 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 1wg7 n ARG 38 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wg7 n SER 39 N -1.85 -3.48 -4.56 0.55 7.64 -1.26 -4.86 113.62 105.80 1wg7 n SER 39 Ca -0.14 0.02 -0.59 0.00 1.01 0.00 0.00 58.87 59.17 1wg7 n SER 39 Cb 0.45 -2.10 -0.09 0.00 -1.01 0.00 0.00 64.21 61.46 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 -1.01 1.71 -3.98 1.43 3.01 -0.59 -4.92 117.46 113.10 1wg7 n PHE 40 Ca 0.01 0.65 -0.29 0.00 1.01 0.00 0.00 57.45 58.82 1wg7 n PHE 40 Cb 0.41 -2.40 -0.05 0.00 -0.01 0.00 0.00 39.48 37.43 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 4.57 3.21 -0.11 -1.08 -0.14 -0.95 -4.97 119.74 120.29 1wg7 s LYS 41 Ca 1.07 -0.61 -0.04 0.00 -1.36 0.00 0.00 55.97 55.03 1wg7 s LYS 41 Cb -1.20 -2.88 -0.04 0.00 -1.68 0.00 0.00 37.83 32.03 1wg7 s LYS 41 CO 0.65 0.56 0.06 0.50 -0.76 0.00 0.00 175.35 176.37 1wg7 s ARG 42 N -2.73 3.25 0.07 1.68 3.52 -1.26 -0.84 118.95 122.64 1wg7 s ARG 42 Ca 0.33 -0.29 -0.11 0.00 -0.13 0.00 0.00 55.73 55.52 1wg7 s ARG 42 Cb -0.12 -2.99 0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1wg7 s ARG 42 CO 0.26 0.70 0.25 0.50 -0.81 0.00 0.00 175.30 176.20 1wg7 s ARG 43 N -0.83 0.83 -0.52 5.12 6.06 0.23 -4.94 118.95 124.89 1wg7 s ARG 43 Ca 0.13 -0.70 -0.24 0.00 -2.50 0.00 0.00 55.73 52.41 1wg7 s ARG 43 Cb -0.12 0.35 0.04 0.00 0.06 0.00 0.00 34.95 35.28 1wg7 s ARG 43 CO 0.03 -0.27 0.93 0.12 -2.50 0.00 0.00 175.30 173.61 1wg7 s PHE 44 N -3.13 2.83 -0.36 5.12 5.36 -0.66 0.40 117.98 127.55 1wg7 s PHE 44 Ca -0.01 0.11 -0.21 0.00 -0.96 0.00 0.00 56.93 55.86 1wg7 s PHE 44 Cb 0.01 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 1wg7 s PHE 44 CO -0.07 -1.27 0.66 -0.06 -1.46 0.00 0.00 175.22 173.02 1wg7 s PHE 45 N 3.88 3.14 -0.10 10.12 0.40 0.08 0.59 117.98 136.10 1wg7 s PHE 45 Ca 0.32 0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 57.03 1wg7 s PHE 45 Cb -0.12 -3.19 -0.03 0.00 0.51 0.00 0.00 43.02 40.20 1wg7 s PHE 45 CO 0.21 -0.65 -0.08 -1.58 0.70 0.00 0.00 175.22 173.83 1wg7 s HIS 46 N 2.78 2.91 -0.15 0.36 5.65 0.31 -2.84 115.29 124.31 1wg7 s HIS 46 Ca 0.26 -0.17 -0.08 0.00 0.25 0.00 0.00 55.06 55.31 1wg7 s HIS 46 Cb -0.14 -1.78 -0.04 0.00 -1.18 0.00 0.00 32.58 29.43 1wg7 s HIS 46 CO 0.15 0.15 0.13 -1.17 -0.65 0.00 0.00 174.74 173.35 1wg7 s LEU 47 N -0.35 4.30 0.00 8.88 2.96 -1.01 0.07 118.68 133.53 1wg7 s LEU 47 Ca 0.05 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1wg7 s LEU 47 Cb -0.12 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 1wg7 s LEU 47 CO 0.02 0.32 0.03 -0.51 -1.32 0.00 0.00 176.35 174.89 1wg7 s ILE 48 N -0.48 0.06 -0.33 6.68 2.07 -0.56 -4.70 121.20 123.94 1wg7 s ILE 48 Ca 0.12 -0.48 -0.18 0.00 -1.41 0.00 0.00 60.65 58.71 1wg7 s ILE 48 Cb -0.12 -0.21 -0.01 0.00 0.13 0.00 0.00 42.46 42.26 1wg7 s ILE 48 CO 0.02 -0.26 0.50 -1.58 -1.91 0.00 0.00 174.94 171.70 1wg7 s GLN 49 N -0.80 3.70 1.04 3.50 0.74 -1.26 -0.12 119.66 126.45 1wg7 s GLN 49 Ca -0.09 -0.10 -0.15 0.00 0.05 0.00 0.00 55.36 55.07 1wg7 s GLN 49 Cb -0.05 -3.78 0.08 0.00 1.10 0.00 0.00 33.01 30.36 1wg7 s GLN 49 CO -0.00 -0.58 0.26 1.28 -0.55 0.00 0.00 175.29 175.70 1wg7 n LEU 50 N 5.67 -1.16 -3.37 3.68 7.99 0.56 -4.76 117.00 125.62 1wg7 n LEU 50 Ca -0.05 0.11 -0.38 0.00 -0.01 0.00 0.00 56.01 55.68 1wg7 n LEU 50 Cb 0.49 -1.10 -0.02 0.00 -0.11 0.00 0.00 43.42 42.68 1wg7 n LEU 50 CO 0.44 -3.35 3.16 0.61 -1.51 0.00 0.00 177.39 176.73 1wg7 n GLY 51 N 1.70 4.11 0.56 -0.72 0.00 -1.26 -3.06 105.19 106.51 1wg7 n GLY 51 Ca 0.04 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 4.12 0.00 0.00 1.61 2.03 -1.26 -4.68 116.55 118.37 1wg7 n ASP 52 Ca 0.70 0.00 0.00 0.00 0.52 0.00 0.00 54.79 56.01 1wg7 n ASP 52 Cb 0.25 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -1.28 0.82 3.63 0.27 0.00 -1.17 -3.93 105.19 103.52 1wg7 n GLY 53 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1wg7 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 54 N 0.00 2.30 -0.04 1.61 1.04 -1.26 -4.76 113.70 112.58 1wg7 s SER 54 Ca 0.00 1.42 0.06 0.00 0.48 0.00 0.00 55.95 57.90 1wg7 s SER 54 Cb 0.00 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 64.00 1wg7 s SER 54 CO 0.00 -3.36 -0.22 -0.31 0.98 0.00 0.00 173.24 170.33 1wg7 s TYR 55 N -2.78 2.11 -0.07 5.02 1.51 -1.26 -0.32 117.35 121.55 1wg7 s TYR 55 Ca 0.66 -0.57 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 1wg7 s TYR 55 Cb -0.21 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1wg7 s TYR 55 CO 0.60 -0.16 -0.18 -0.80 -1.11 0.00 0.00 175.55 173.90 1wg7 s ASN 56 N -0.18 2.34 -0.46 2.29 -0.87 0.83 -3.71 114.94 115.18 1wg7 s ASN 56 Ca -0.01 -0.40 -0.19 0.00 -1.57 0.00 0.00 52.86 50.69 1wg7 s ASN 56 Cb -0.12 -0.95 0.04 0.00 -0.02 0.00 0.00 41.25 40.20 1wg7 s ASN 56 CO 0.02 0.11 0.57 -0.22 -2.57 0.00 0.00 177.10 175.01 1wg7 s LEU 57 N 0.36 4.85 -0.15 0.60 2.96 -0.90 -1.49 118.68 124.91 1wg7 s LEU 57 Ca -0.13 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.03 1wg7 s LEU 57 Cb -0.15 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 1wg7 s LEU 57 CO 0.05 -0.77 -0.07 0.20 -1.32 0.00 0.00 176.35 174.45 1wg7 s ASN 58 N 2.26 4.50 -0.08 3.68 0.01 0.11 0.77 114.94 126.20 1wg7 s ASN 58 Ca 0.16 -0.22 0.01 0.00 -0.71 0.00 0.00 52.86 52.10 1wg7 s ASN 58 Cb -0.18 -1.72 -0.03 0.00 0.41 0.00 0.00 41.25 39.73 1wg7 s ASN 58 CO 0.14 0.15 -0.07 0.72 -1.51 0.00 0.00 177.10 176.53 1wg7 s PHE 59 N 0.45 2.94 0.48 2.20 -0.71 -0.88 0.11 117.98 122.57 1wg7 s PHE 59 Ca -0.06 -0.02 0.05 0.00 -1.04 0.00 0.00 56.93 55.86 1wg7 s PHE 59 Cb -0.15 -1.73 -0.02 0.00 -1.21 0.00 0.00 43.02 39.91 1wg7 s PHE 59 CO 0.03 0.29 0.15 0.71 -1.34 0.00 0.00 175.22 175.06 1wg7 s TYR 60 N -0.70 2.10 0.30 3.49 1.51 0.20 -0.82 117.35 123.43 1wg7 s TYR 60 Ca 0.11 -0.79 0.09 0.00 -1.01 0.00 0.00 57.07 55.47 1wg7 s TYR 60 Cb -0.11 -1.80 0.47 0.00 -0.11 0.00 0.00 41.96 40.40 1wg7 s TYR 60 CO 0.02 0.08 1.69 1.57 -1.11 0.00 0.00 175.55 177.79 1wg7 h LYS 61 N 1.28 0.09 0.00 -0.62 2.10 -1.90 -1.76 116.57 115.77 1wg7 h LYS 61 Ca -0.42 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1wg7 h LYS 61 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1wg7 h LYS 61 CO 0.70 0.57 0.00 -0.25 -2.00 0.00 0.00 179.45 178.47 1wg7 n ASP 62 N -3.95 0.00 0.08 7.07 8.00 -1.26 -4.51 116.55 121.98 1wg7 n ASP 62 Ca -0.02 -0.14 -0.11 0.00 0.71 0.00 0.00 54.79 55.23 1wg7 n ASP 62 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.51 1wg7 n ASP 62 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wg7 h GLU 63 N 0.00 0.13 -5.72 -1.24 5.08 -1.92 -3.40 114.58 107.50 1wg7 h GLU 63 Ca 0.00 -0.20 -0.44 0.00 -1.00 0.00 0.00 59.36 57.72 1wg7 h GLU 63 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1wg7 h GLU 63 CO 0.00 1.08 1.41 0.15 -1.00 0.00 0.00 179.01 180.65 1wg7 s LYS 64 N -2.76 2.25 0.00 2.33 1.02 -1.26 -4.89 119.74 116.43 1wg7 s LYS 64 Ca -0.01 1.03 0.00 0.00 0.02 0.00 0.00 55.97 57.01 1wg7 s LYS 64 Cb 0.09 -4.55 0.00 0.00 -0.52 0.00 0.00 37.83 32.85 1wg7 s LYS 64 CO 0.84 -3.19 0.00 0.44 -0.92 0.00 0.00 175.35 172.53 1wg7 n ILE 65 N 7.79 0.00 0.00 2.17 -5.35 -1.26 -4.74 119.36 117.97 1wg7 n ILE 65 Ca 0.32 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.80 1wg7 n ILE 65 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1wg7 n ILE 65 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1wg7 n SER 66 N 0.00 0.00 -2.51 7.28 2.88 -1.26 -4.91 113.62 115.10 1wg7 n SER 66 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1wg7 n SER 66 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.95 -2.30 -1.46 5.02 -1.26 -4.93 118.16 112.27 1wg7 n LYS 67 Ca 0.00 -0.20 -0.43 0.00 -2.02 0.00 0.00 58.31 55.66 1wg7 n LYS 67 Cb 0.00 -0.17 -0.02 0.00 -0.02 0.00 0.00 35.03 34.82 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 -3.28 4.22 0.96 1.97 2.02 -1.26 -5.01 118.70 118.31 1wg7 s GLU 68 Ca 0.08 1.81 -0.14 0.00 0.02 0.00 0.00 54.97 56.74 1wg7 s GLU 68 Cb -0.01 -3.83 0.17 0.00 0.10 0.00 0.00 34.13 30.56 1wg7 s GLU 68 CO 0.06 -0.75 1.16 -1.25 0.02 0.00 0.00 175.26 174.50 1wg7 s PRO 69 N 3.66 0.76 0.31 0.39 0.04 -1.26 -4.96 135.00 133.93 1wg7 s PRO 69 Ca 0.60 0.14 0.11 0.00 0.04 0.00 0.00 61.00 61.90 1wg7 s PRO 69 Cb -0.25 -1.81 0.47 0.00 0.04 0.00 0.00 34.50 32.96 1wg7 s PRO 69 CO 0.19 -2.43 1.68 0.87 0.04 0.00 0.00 177.00 177.35 1wg7 h LYS 70 N -1.66 0.00 0.00 4.56 1.79 -1.32 -3.48 116.57 116.46 1wg7 h LYS 70 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1wg7 h LYS 70 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1wg7 h LYS 70 CO 0.55 0.54 0.00 0.41 -1.08 0.00 0.00 179.45 179.87 1wg7 n GLY 71 N 0.05 0.05 2.86 3.86 0.00 -1.22 -5.03 105.19 105.76 1wg7 n GLY 71 Ca -0.01 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 1wg7 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 72 N 0.00 0.18 -0.27 1.61 1.04 -1.26 -2.07 113.70 112.93 1wg7 s SER 72 Ca 0.00 -0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.29 1wg7 s SER 72 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1wg7 s SER 72 CO 0.00 -0.02 0.26 -0.63 0.98 0.00 0.00 173.24 173.83 1wg7 s ILE 73 N 0.29 5.26 -1.21 -1.02 1.01 0.23 -4.92 121.20 120.84 1wg7 s ILE 73 Ca -0.02 0.33 -0.18 0.00 0.00 0.00 0.00 60.65 60.77 1wg7 s ILE 73 Cb -0.04 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1wg7 s ILE 73 CO -0.01 0.22 1.97 0.49 0.00 0.00 0.00 174.94 177.62 1wg7 n PHE 74 N 5.09 3.31 -0.39 3.97 3.72 -1.26 -2.12 117.46 129.77 1wg7 n PHE 74 Ca -0.12 -2.40 0.38 0.00 -0.05 0.00 0.00 57.45 55.26 1wg7 n PHE 74 Cb 0.52 -2.39 0.76 0.00 -0.94 0.00 0.00 39.48 37.42 1wg7 n PHE 74 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1wg7 h LEU 75 N 12.95 0.02 -2.07 4.37 3.38 -1.94 1.82 115.31 133.84 1wg7 h LEU 75 Ca 0.44 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.48 1wg7 h LEU 75 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1wg7 h LEU 75 CO 1.67 -0.00 0.34 -0.78 0.09 0.00 0.00 178.44 179.77 1wg7 h ASP 76 N 0.01 0.00 0.00 -0.43 3.58 -1.85 0.07 116.42 117.80 1wg7 h ASP 76 Ca 0.64 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.78 1wg7 h ASP 76 Cb 2.53 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 43.52 1wg7 h ASP 76 CO -0.02 0.00 -2.15 -1.20 -2.88 0.00 0.00 179.24 172.99 1wg7 n SER 77 N -3.44 1.25 -4.46 2.28 7.64 0.61 -4.98 113.62 112.52 1wg7 n SER 77 Ca 0.03 -0.03 -0.60 0.00 1.01 0.00 0.00 58.87 59.28 1wg7 n SER 77 Cb 0.46 0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 64.21 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 3.38 0.25 0.00 0.00 0.00 0.12 -3.47 114.93 115.21 1wg7 h MET 79 Ca -0.48 -0.43 0.00 0.00 0.00 0.00 0.00 59.70 58.78 1wg7 h MET 79 Cb 1.39 0.16 0.00 0.00 0.00 0.00 0.00 31.60 33.15 1wg7 h MET 79 CO 0.71 1.21 0.00 0.41 0.00 0.00 0.00 176.91 179.23 1wg7 n GLY 80 N 1.69 0.87 3.67 8.32 0.00 -1.18 -4.92 105.19 113.64 1wg7 n GLY 80 Ca -0.20 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 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 5.21 0.43 1.61 1.01 -1.26 -1.38 120.40 124.01 1wg7 s VAL 81 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.18 1wg7 s VAL 81 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1wg7 s VAL 81 CO 0.00 0.41 0.45 0.68 0.00 0.00 0.00 175.10 176.64 1wg7 s VAL 82 N 0.66 2.70 -0.29 2.92 -7.23 0.58 -4.96 120.40 114.78 1wg7 s VAL 82 Ca 0.07 -1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 1wg7 s VAL 82 Cb -0.12 -2.93 0.04 0.00 0.56 0.00 0.00 36.38 33.92 1wg7 s VAL 82 CO 0.01 0.00 -0.01 -1.10 -0.31 0.00 0.00 175.10 173.69 1wg7 s GLN 83 N -4.22 2.58 0.00 4.82 -0.21 -1.26 -2.16 119.66 119.21 1wg7 s GLN 83 Ca 0.50 -1.16 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1wg7 s GLN 83 Cb -0.05 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.82 1wg7 s GLN 83 CO 0.30 -0.55 0.11 0.09 -2.12 0.00 0.00 175.29 173.12 1wg7 n ASN 84 N 4.65 0.00 0.00 5.90 4.13 -0.51 -4.89 115.26 124.54 1wg7 n ASN 84 Ca -0.14 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1wg7 n ASN 84 Cb 0.45 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 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 -0.50 0.00 0.10 6.41 5.15 -1.16 -4.76 115.26 120.49 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 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 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 0.00 -0.44 0.00 1.20 1.79 -1.90 -3.18 116.57 114.04 1wg7 h LYS 86 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1wg7 h LYS 86 Cb 0.00 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1wg7 h LYS 86 CO 0.00 -0.29 0.00 0.28 -1.08 0.00 0.00 179.45 178.36 1wg7 n VAL 87 N -4.06 0.00 -4.44 0.50 0.31 -1.26 -4.81 118.33 104.58 1wg7 n VAL 87 Ca -0.05 1.42 -0.21 0.00 -0.01 0.00 0.00 64.34 65.49 1wg7 n VAL 87 Cb 0.23 -2.14 -0.11 0.00 -0.91 0.00 0.00 33.84 30.92 1wg7 n VAL 87 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1wg7 s ARG 88 N -2.68 1.60 0.18 5.55 0.52 -1.20 -5.05 118.95 117.87 1wg7 s ARG 88 Ca 0.00 -1.86 -0.13 0.00 -0.52 0.00 0.00 55.73 53.22 1wg7 s ARG 88 Cb 0.00 -0.97 0.08 0.00 0.52 0.00 0.00 34.95 34.58 1wg7 s ARG 88 CO 0.00 -0.10 1.81 0.00 0.02 0.00 0.00 175.30 177.03 1wg7 h ARG 89 N 2.19 0.80 -2.61 3.54 2.47 -1.88 -3.20 114.38 115.69 1wg7 h ARG 89 Ca -0.40 -0.08 -0.61 0.00 -1.26 0.00 0.00 59.98 57.63 1wg7 h ARG 89 Cb 1.24 -0.17 -0.42 0.00 -1.65 0.00 0.00 29.97 28.97 1wg7 h ARG 89 CO 0.69 0.58 -0.58 1.19 0.56 0.00 0.00 179.97 182.41 1wg7 n PHE 90 N -4.62 3.46 -4.12 3.04 3.72 -1.26 -4.65 117.46 113.03 1wg7 n PHE 90 Ca 0.04 -4.23 -0.19 0.00 -0.05 0.00 0.00 57.45 53.02 1wg7 n PHE 90 Cb 0.06 -0.59 -0.16 0.00 -0.94 0.00 0.00 39.48 37.85 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 -2.01 0.55 0.02 4.37 0.00 -1.24 -1.88 121.76 121.58 1wg7 s ALA 91 Ca 0.33 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.33 1wg7 s ALA 91 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1wg7 s ALA 91 CO -0.09 0.00 -0.19 -0.59 0.00 0.00 0.00 175.76 174.89 1wg7 s PHE 92 N 0.75 1.72 -0.11 0.00 -0.71 0.14 -1.42 117.98 118.35 1wg7 s PHE 92 Ca -0.09 -0.35 -0.07 0.00 -1.04 0.00 0.00 56.93 55.37 1wg7 s PHE 92 Cb -0.12 -1.05 -0.04 0.00 -1.21 0.00 0.00 43.02 40.59 1wg7 s PHE 92 CO -0.00 0.05 0.15 -2.00 -1.34 0.00 0.00 175.22 172.08 1wg7 s GLU 93 N -0.93 3.46 -0.39 1.99 2.12 -0.92 -0.23 118.70 123.81 1wg7 s GLU 93 Ca 0.07 -0.12 -0.15 0.00 0.36 0.00 0.00 54.97 55.13 1wg7 s GLU 93 Cb -0.08 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.13 1wg7 s GLU 93 CO 0.01 0.77 0.33 -0.51 -0.54 0.00 0.00 175.26 175.32 1wg7 s LEU 94 N -1.08 4.81 -0.81 2.70 2.01 0.18 -0.31 118.68 126.18 1wg7 s LEU 94 Ca 0.16 -0.63 -0.24 0.00 0.01 0.00 0.00 54.13 53.43 1wg7 s LEU 94 Cb -0.12 -2.25 0.06 0.00 0.01 0.00 0.00 46.19 43.89 1wg7 s LEU 94 CO 0.05 -0.42 1.23 -0.54 1.01 0.00 0.00 176.35 177.68 1wg7 s LYS 95 N 1.86 3.32 1.04 1.70 -0.14 -0.48 -2.07 119.74 124.97 1wg7 s LYS 95 Ca 0.08 -0.77 -0.17 0.00 -1.36 0.00 0.00 55.97 53.75 1wg7 s LYS 95 Cb -0.18 -4.57 0.23 0.00 -1.68 0.00 0.00 37.83 31.63 1wg7 s LYS 95 CO 0.11 -2.05 1.28 -1.64 -0.76 0.00 0.00 175.35 172.29 1wg7 s MET 96 N 4.81 0.06 -0.01 1.68 -1.94 -0.81 0.77 119.30 123.88 1wg7 s MET 96 Ca 0.35 -0.36 0.08 0.00 -1.71 0.00 0.00 55.69 54.05 1wg7 s MET 96 Cb -0.08 -1.77 -0.10 0.00 2.01 0.00 0.00 34.83 34.89 1wg7 s MET 96 CO 0.05 -2.81 0.26 0.00 -0.01 0.00 0.00 175.02 172.51 1wg7 n GLN 97 N -4.06 2.50 -0.88 2.03 10.64 -1.24 -4.53 117.38 121.84 1wg7 n GLN 97 Ca 0.15 -0.03 -0.17 0.00 -1.83 0.00 0.00 57.00 55.12 1wg7 n GLN 97 Cb 0.59 -1.02 0.04 0.00 -0.86 0.00 0.00 30.24 29.00 1wg7 n GLN 97 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wg7 n ASP 98 N -1.46 6.24 -2.93 2.61 2.03 -1.26 -4.87 116.55 116.91 1wg7 n ASP 98 Ca 0.00 -3.06 -0.02 0.00 0.52 0.00 0.00 54.79 52.23 1wg7 n ASP 98 Cb 0.16 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wg7 n LYS 99 N 0.26 -2.21 0.00 -0.67 4.76 -1.26 -5.00 118.16 114.03 1wg7 n LYS 99 Ca 0.31 1.97 0.00 0.00 -2.87 0.00 0.00 58.31 57.72 1wg7 n LYS 99 Cb 0.62 -3.69 0.00 0.00 -1.84 0.00 0.00 35.03 30.12 1wg7 n LYS 99 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wg7 n SER 100 N 0.81 0.00 -3.62 4.39 2.88 -1.26 -5.07 113.62 111.74 1wg7 n SER 100 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.43 1wg7 n SER 100 Cb 0.24 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.63 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 0.00 -0.57 0.00 -3.46 1.04 -1.26 -1.92 113.70 107.54 1wg7 s SER 101 Ca 0.00 1.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.46 1wg7 s SER 101 Cb 0.00 1.05 -0.04 0.00 0.10 0.00 0.00 66.02 67.13 1wg7 s SER 101 CO 0.00 -0.23 0.17 -0.31 0.98 0.00 0.00 173.24 173.85 1wg7 s TYR 102 N 0.11 3.51 -0.50 5.02 2.02 -0.88 -4.79 117.35 121.84 1wg7 s TYR 102 Ca 0.01 0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.90 1wg7 s TYR 102 Cb -0.04 -1.81 0.12 0.00 -0.40 0.00 0.00 41.96 39.83 1wg7 s TYR 102 CO -0.02 0.63 0.41 -1.17 -1.57 0.00 0.00 175.55 173.83 1wg7 s LEU 103 N -2.00 5.87 0.16 -1.29 0.20 -1.26 0.47 118.68 120.83 1wg7 s LEU 103 Ca 0.28 -1.78 0.02 0.00 0.69 0.00 0.00 54.13 53.34 1wg7 s LEU 103 Cb -0.13 -2.11 -0.04 0.00 -0.43 0.00 0.00 46.19 43.49 1wg7 s LEU 103 CO 0.20 -0.75 0.30 -0.76 -0.29 0.00 0.00 176.35 175.05 1wg7 s LEU 104 N 1.50 4.32 -0.28 -0.68 1.02 0.68 -0.45 118.68 124.79 1wg7 s LEU 104 Ca 0.04 0.21 -0.22 0.00 0.02 0.00 0.00 54.13 54.19 1wg7 s LEU 104 Cb -0.27 -2.96 0.08 0.00 0.02 0.00 0.00 46.19 43.06 1wg7 s LEU 104 CO 0.02 0.03 0.76 0.00 0.02 0.00 0.00 176.35 177.18 1wg7 s ALA 105 N -1.77 -1.86 0.49 4.21 0.00 -1.03 0.27 121.76 122.06 1wg7 s ALA 105 Ca 0.35 2.15 0.08 0.00 0.00 0.00 0.00 51.96 54.54 1wg7 s ALA 105 Cb -0.11 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.72 1wg7 s ALA 105 CO 0.29 -0.34 0.53 0.00 0.00 0.00 0.00 175.76 176.23 1wg7 s ALA 106 N 0.82 4.40 0.06 0.00 0.00 -0.79 0.15 121.76 126.40 1wg7 s ALA 106 Ca -0.03 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.10 1wg7 s ALA 106 Cb -0.05 -1.16 -0.29 0.00 0.00 0.00 0.00 23.12 21.62 1wg7 s ALA 106 CO -0.07 -0.46 1.09 0.22 0.00 0.00 0.00 175.76 176.54 1wg7 h ASP 107 N 0.67 0.48 -3.45 0.00 1.82 -1.87 -3.44 116.42 110.63 1wg7 h ASP 107 Ca -0.37 -0.53 -0.41 0.00 -0.39 0.00 0.00 57.03 55.33 1wg7 h ASP 107 Cb 1.28 -0.16 -0.14 0.00 0.68 0.00 0.00 39.33 40.99 1wg7 h ASP 107 CO 0.51 1.42 -0.72 -0.44 -1.61 0.00 0.00 179.24 178.40 1wg7 s SER 108 N -7.19 2.31 0.20 2.28 0.01 -1.26 -5.00 113.70 105.06 1wg7 s SER 108 Ca -0.05 -1.05 -0.12 0.00 1.31 0.00 0.00 55.95 56.05 1wg7 s SER 108 Cb 0.07 -0.09 0.26 0.00 0.21 0.00 0.00 66.02 66.46 1wg7 s SER 108 CO 0.89 -0.25 1.67 1.05 0.41 0.00 0.00 173.24 177.01 1wg7 h GLU 109 N 2.59 0.13 0.16 12.44 4.11 -1.94 0.16 114.58 132.23 1wg7 h GLU 109 Ca -0.38 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.05 1wg7 h GLU 109 Cb 1.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1wg7 h GLU 109 CO 0.63 0.08 -0.33 -0.24 0.07 0.00 0.00 179.01 179.23 1wg7 h VAL 110 N 0.13 0.00 -0.20 -1.06 3.04 -1.97 1.67 116.25 117.85 1wg7 h VAL 110 Ca 0.30 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 66.05 1wg7 h VAL 110 Cb 0.47 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 1wg7 h VAL 110 CO -0.48 0.00 0.54 -0.33 -1.01 0.00 0.00 177.57 176.29 1wg7 h GLU 111 N -0.53 0.00 0.04 4.17 5.08 -1.81 1.24 114.58 122.76 1wg7 h GLU 111 Ca -0.02 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.03 1wg7 h GLU 111 Cb 0.50 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1wg7 h GLU 111 CO -0.13 0.00 -1.76 1.98 -1.00 0.00 0.00 179.01 178.10 1wg7 h MET 112 N 0.00 0.08 0.25 2.33 4.05 0.14 -3.33 114.93 118.45 1wg7 h MET 112 Ca 0.10 -0.13 -0.34 0.00 -0.28 0.00 0.00 59.70 59.05 1wg7 h MET 112 Cb 1.17 0.05 0.04 0.00 -0.80 0.00 0.00 31.60 32.05 1wg7 h MET 112 CO -0.00 0.70 -1.51 1.05 0.23 0.00 0.00 176.91 177.39 1wg7 h GLU 113 N 0.02 0.53 -0.08 0.39 4.11 0.95 -2.96 114.58 117.54 1wg7 h GLU 113 Ca -0.31 -0.90 0.04 0.00 0.07 0.00 0.00 59.36 58.25 1wg7 h GLU 113 Cb 2.01 0.34 -0.06 0.00 0.50 0.00 0.00 28.75 31.54 1wg7 h GLU 113 CO 0.09 1.43 -0.42 0.93 0.07 0.00 0.00 179.01 181.11 1wg7 h GLU 114 N 0.14 -0.51 0.16 1.06 5.08 0.92 0.40 114.58 121.82 1wg7 h GLU 114 Ca -0.27 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1wg7 h GLU 114 Cb 2.16 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 31.50 1wg7 h GLU 114 CO 0.27 -0.34 -0.22 -1.49 -1.00 0.00 0.00 179.01 176.23 1wg7 h TRP 115 N -0.53 -0.57 -1.00 4.33 4.06 -1.70 1.13 115.95 121.68 1wg7 h TRP 115 Ca 0.06 0.01 0.29 0.00 2.06 0.00 0.00 58.89 61.31 1wg7 h TRP 115 Cb 0.64 0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.99 1wg7 h TRP 115 CO -0.46 -0.31 0.81 0.82 -3.56 0.00 0.00 178.44 175.73 1wg7 h ILE 116 N -0.43 0.35 0.11 1.49 2.04 -1.18 0.81 117.51 120.70 1wg7 h ILE 116 Ca 0.01 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.54 1wg7 h ILE 116 Cb 0.43 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1wg7 h ILE 116 CO -0.09 0.00 -1.82 0.74 0.00 0.00 0.00 178.15 176.98 1wg7 h THR 117 N 0.00 0.82 0.29 -0.27 2.02 0.26 -3.08 112.91 112.95 1wg7 h THR 117 Ca 0.47 -2.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.12 1wg7 h THR 117 Cb 2.09 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 71.08 1wg7 h THR 117 CO -0.00 0.81 -0.14 0.40 0.37 0.00 0.00 175.52 176.96 1wg7 h ILE 118 N 0.07 0.00 -0.49 3.11 5.03 0.73 0.13 117.51 126.09 1wg7 h ILE 118 Ca -0.35 -0.12 0.10 0.00 -0.12 0.00 0.00 64.86 64.36 1wg7 h ILE 118 Cb 2.04 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 35.73 1wg7 h ILE 118 CO 0.12 0.00 -0.25 -0.07 -0.68 0.00 0.00 178.15 177.27 1wg7 h LEU 119 N -0.51 -0.86 -0.78 1.44 3.38 -0.23 0.37 115.31 118.12 1wg7 h LEU 119 Ca -0.04 0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1wg7 h LEU 119 Cb 0.29 0.45 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 1wg7 h LEU 119 CO 0.06 -0.27 0.37 0.78 0.09 0.00 0.00 178.44 179.48 1wg7 h ASN 120 N -0.14 0.43 0.29 -0.43 2.35 -1.58 1.06 115.58 117.56 1wg7 h ASN 120 Ca 0.22 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1wg7 h ASN 120 Cb 0.49 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1wg7 h ASN 120 CO -0.57 0.19 -0.37 0.11 -1.65 0.00 0.00 177.43 175.14 1wg7 h LYS 121 N 0.56 -0.66 -0.56 0.81 1.57 0.25 1.66 116.57 120.20 1wg7 h LYS 121 Ca 0.42 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.30 1wg7 h LYS 121 Cb 0.57 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1wg7 h LYS 121 CO -0.35 -0.44 0.37 0.82 -0.57 0.00 0.00 179.45 179.28 1wg7 h ILE 122 N -0.68 1.01 0.59 1.86 5.03 -0.43 1.71 117.51 126.60 1wg7 h ILE 122 Ca -0.04 -0.19 -0.03 0.00 -0.12 0.00 0.00 64.86 64.49 1wg7 h ILE 122 Cb 0.61 0.41 0.01 0.00 -3.03 0.00 0.00 36.82 34.81 1wg7 h ILE 122 CO -0.09 0.10 -0.28 -0.07 -0.68 0.00 0.00 178.15 177.13 1wg7 h LEU 123 N 0.55 -0.67 -0.49 1.44 4.07 0.22 1.27 115.31 121.71 1wg7 h LEU 123 Ca 0.24 -0.03 -0.07 0.00 0.08 0.00 0.00 57.88 58.09 1wg7 h LEU 123 Cb 0.24 0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1wg7 h LEU 123 CO -0.07 -0.36 0.02 1.56 -1.08 0.00 0.00 178.44 178.52 1wg7 h GLN 124 N -0.98 0.85 -0.36 1.13 4.20 0.30 -2.59 115.11 117.67 1wg7 h GLN 124 Ca -0.08 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 1wg7 h GLN 124 Cb 0.66 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1wg7 h GLN 124 CO 0.13 0.88 -0.06 -0.07 -0.67 0.00 0.00 178.83 179.05 1wg7 h LEU 125 N 0.72 0.57 -1.72 1.46 4.07 0.26 -1.69 115.31 118.97 1wg7 h LEU 125 Ca 0.14 -0.13 0.10 0.00 0.08 0.00 0.00 57.88 58.07 1wg7 h LEU 125 Cb 0.48 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 1wg7 h LEU 125 CO 0.02 0.68 0.37 0.78 -1.08 0.00 0.00 178.44 179.21 1wg7 h ASN 126 N 0.56 0.28 -0.19 -0.43 2.35 0.20 1.38 115.58 119.73 1wg7 h ASN 126 Ca 0.11 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 1wg7 h ASN 126 Cb 0.44 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1wg7 h ASN 126 CO 0.02 0.17 -0.34 0.15 -1.65 0.00 0.00 177.43 175.78 1wg7 h PHE 127 N 0.31 0.70 0.00 1.19 3.04 -1.15 -2.23 116.94 118.81 1wg7 h PHE 127 Ca 0.26 -0.25 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 1wg7 h PHE 127 Cb 0.59 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1wg7 h PHE 127 CO -0.00 0.98 -0.31 0.93 -2.02 0.00 0.00 178.31 177.89 1wg7 h GLU 128 N 0.22 0.00 -0.26 1.11 5.08 -0.95 -3.11 114.58 116.68 1wg7 h GLU 128 Ca 0.01 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1wg7 h GLU 128 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1wg7 h GLU 128 CO 0.08 0.31 -0.48 0.00 -1.00 0.00 0.00 179.01 177.92 1wg7 h ALA 129 N 1.69 0.67 0.16 3.43 0.00 0.18 -0.65 119.26 124.75 1wg7 h ALA 129 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1wg7 h ALA 129 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1wg7 h ALA 129 CO 0.04 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.89 1wg7 h ALA 130 N 0.92 -0.22 0.00 0.00 0.00 -1.33 1.01 119.26 119.63 1wg7 h ALA 130 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wg7 h ALA 130 Cb 1.04 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1wg7 h ALA 130 CO 0.10 -0.62 -0.15 0.52 0.00 0.00 0.00 179.25 179.10 1wg7 h MET 131 N -0.22 0.00 0.22 0.00 2.07 -1.54 0.25 114.93 115.71 1wg7 h MET 131 Ca -0.02 0.00 -0.33 0.00 -2.07 0.00 0.00 59.70 57.28 1wg7 h MET 131 Cb 0.17 0.00 0.03 0.00 -1.87 0.00 0.00 31.60 29.93 1wg7 h MET 131 CO 0.04 0.15 -1.47 1.96 1.07 0.00 0.00 176.91 178.65 1wg7 h GLN 132 N 0.00 0.46 -0.06 1.72 4.20 -0.25 -3.27 115.11 117.92 1wg7 h GLN 132 Ca -0.00 -0.79 -0.24 0.00 0.06 0.00 0.00 58.65 57.68 1wg7 h GLN 132 Cb 0.46 0.30 0.01 0.00 0.30 0.00 0.00 27.48 28.55 1wg7 h GLN 132 CO 0.02 1.37 -0.91 0.93 -0.67 0.00 0.00 178.83 179.58 1wg7 h GLU 133 N 0.13 0.66 -0.68 1.46 5.08 0.14 -3.22 114.58 118.15 1wg7 h GLU 133 Ca -0.24 -0.63 0.15 0.00 -1.00 0.00 0.00 59.36 57.63 1wg7 h GLU 133 Cb 2.12 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 31.42 1wg7 h GLU 133 CO 0.25 1.24 0.04 -0.22 -1.00 0.00 0.00 179.01 179.32 1wg7 h LYS 134 N 0.41 0.14 -2.08 2.33 3.64 -0.61 -0.54 116.57 119.86 1wg7 h LYS 134 Ca -0.09 -0.01 -0.75 0.00 -1.27 0.00 0.00 60.65 58.54 1wg7 h LYS 134 Cb 1.54 -0.03 -0.30 0.00 -0.41 0.00 0.00 32.23 33.03 1wg7 h LYS 134 CO 0.18 0.09 0.70 0.54 -2.27 0.00 0.00 179.45 178.69 1wg7 n ARG 135 N -5.27 3.95 -3.15 1.90 5.12 -1.22 -4.82 116.66 113.16 1wg7 n ARG 135 Ca 0.11 -4.22 0.05 0.00 -1.93 0.00 0.00 57.85 51.87 1wg7 n ARG 135 Cb 0.41 -2.34 -0.01 0.00 -1.16 0.00 0.00 32.46 29.36 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 -1.68 -0.95 -0.17 0.55 2.47 -0.21 -4.97 114.94 109.98 1wg7 s ASN 136 Ca 0.46 0.38 -0.15 0.00 0.42 0.00 0.00 52.86 53.97 1wg7 s ASN 136 Cb 0.32 1.71 -0.07 0.00 -1.45 0.00 0.00 41.25 41.77 1wg7 s ASN 136 CO -0.25 -0.18 -0.31 0.61 -3.72 0.00 0.00 177.10 173.25 1wg7 n GLY 137 N 5.38 -0.47 3.33 1.21 0.00 -1.26 -4.78 105.19 108.60 1wg7 n GLY 137 Ca 0.00 -0.26 -0.58 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.30 1.12 -3.60 1.61 8.00 -1.26 -4.46 116.55 113.66 1wg7 n ASP 138 Ca -0.20 0.66 -0.09 0.00 0.71 0.00 0.00 54.79 55.87 1wg7 n ASP 138 Cb 0.55 -0.99 -0.05 0.00 -0.02 0.00 0.00 41.12 40.61 1wg7 n ASP 138 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wg7 s SER 139 N 6.06 -0.32 -0.00 -2.24 1.04 -1.26 -4.95 113.70 112.02 1wg7 s SER 139 Ca 1.16 0.42 0.06 0.00 0.48 0.00 0.00 55.95 58.07 1wg7 s SER 139 Cb -1.35 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 65.11 1wg7 s SER 139 CO 0.63 -0.25 -0.18 -2.28 0.98 0.00 0.00 173.24 172.14 1wg7 s HIS 140 N -0.81 1.59 0.30 5.02 2.46 -1.09 -4.26 115.29 118.51 1wg7 s HIS 140 Ca 0.01 -0.31 0.02 0.00 0.47 0.00 0.00 55.06 55.25 1wg7 s HIS 140 Cb -0.02 -1.01 -0.02 0.00 -0.13 0.00 0.00 32.58 31.40 1wg7 s HIS 140 CO -0.02 -0.01 0.31 -1.21 -2.47 0.00 0.00 174.74 171.34 1wg7 s GLU 141 N -0.54 1.68 -0.29 2.88 0.41 -1.19 -2.92 118.70 118.73 1wg7 s GLU 141 Ca 0.07 -1.83 -0.14 0.00 -0.41 0.00 0.00 54.97 52.65 1wg7 s GLU 141 Cb -0.07 0.35 0.10 0.00 -1.78 0.00 0.00 34.13 32.74 1wg7 s GLU 141 CO -0.00 -0.64 0.73 0.16 -0.49 0.00 0.00 175.26 175.02 1wg7 s ASP 142 N -3.28 -0.94 -0.02 -0.19 -4.77 -1.26 -4.97 116.67 101.25 1wg7 s ASP 142 Ca 0.37 1.42 -0.01 0.00 -3.30 0.00 0.00 52.55 51.03 1wg7 s ASP 142 Cb 0.02 1.62 0.02 0.00 -1.09 0.00 0.00 42.92 43.49 1wg7 s ASP 142 CO 0.22 -0.22 0.05 1.51 0.70 0.00 0.00 175.17 177.43 1wg7 s ASP 143 N 1.97 -0.01 -0.30 2.11 1.47 -1.26 -4.95 116.67 115.71 1wg7 s ASP 143 Ca -0.09 0.09 -0.15 0.00 1.18 0.00 0.00 52.55 53.59 1wg7 s ASP 143 Cb -0.07 0.04 0.18 0.00 -0.34 0.00 0.00 42.92 42.73 1wg7 s ASP 143 CO -0.19 -0.07 1.14 -0.70 0.68 0.00 0.00 175.17 176.02 1wg7 s GLU 144 N 0.54 0.06 -0.07 2.11 2.56 -1.26 -5.16 118.70 117.49 1wg7 s GLU 144 Ca -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.97 54.96 1wg7 s GLU 144 Cb -0.06 0.03 0.04 0.00 2.00 0.00 0.00 34.13 36.13 1wg7 s GLU 144 CO -0.02 -0.11 0.14 0.45 -0.56 0.00 0.00 175.26 175.16 1wg7 s SER 145 N 2.98 0.06 -0.07 -1.70 0.15 -1.26 -5.00 113.70 108.85 1wg7 s SER 145 Ca 0.31 0.29 -0.01 0.00 0.70 0.00 0.00 55.95 57.25 1wg7 s SER 145 Cb -0.00 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1wg7 s SER 145 CO -0.22 -0.17 0.02 0.61 1.20 0.00 0.00 173.24 174.68 1wg7 n GLY 146 N 4.42 -1.23 0.12 9.45 0.00 -1.26 -4.93 105.19 111.75 1wg7 n GLY 146 Ca -0.23 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1wg7 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg7 h PRO 147 N 3.81 -0.17 0.00 1.61 0.13 -2.04 -3.49 132.00 131.85 1wg7 h PRO 147 Ca -0.04 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1wg7 h PRO 147 Cb 0.63 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1wg7 h PRO 147 CO 0.02 0.26 0.00 -1.13 -0.23 0.00 0.00 178.00 176.92 1wg7 n SER 148 N -4.87 0.00 -3.59 1.44 3.41 -1.26 -5.18 113.62 103.57 1wg7 n SER 148 Ca -0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.41 1wg7 n SER 148 Cb 0.25 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 1wg7 n SER 148 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wg7 s SER 149 N 0.00 -0.55 0.00 4.04 0.15 -1.26 -5.27 113.70 110.81 1wg7 s SER 149 Ca 0.00 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wg7 s SER 149 Cb 0.00 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1wg7 s SER 149 CO 0.00 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.70