#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wg4 s THR 41 N 0.00 4.99 1.04 -5.08 -4.23 -1.26 -5.10 115.64 106.00 2wg4 s THR 41 Ca 0.00 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.42 2wg4 s THR 41 Cb 0.00 -3.22 0.21 0.00 1.34 0.00 0.00 72.50 70.83 2wg4 s THR 41 CO 0.00 0.51 1.07 -2.84 -0.54 0.00 0.00 174.62 172.82 2wg4 s PRO 42 N -0.08 0.08 0.13 3.99 0.02 -1.26 -4.83 135.00 133.05 2wg4 s PRO 42 Ca 0.08 0.92 -0.19 0.00 0.02 0.00 0.00 61.00 61.83 2wg4 s PRO 42 Cb -0.12 -1.66 -0.07 0.00 0.02 0.00 0.00 34.50 32.66 2wg4 s PRO 42 CO 0.01 -3.07 0.61 -0.51 -0.33 0.00 0.00 177.00 173.71 2wg4 s LEU 43 N -6.79 4.46 0.66 -5.54 1.43 -0.30 -4.92 118.68 107.68 2wg4 s LEU 43 Ca 0.67 1.29 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 2wg4 s LEU 43 Cb -0.22 -3.15 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 2wg4 s LEU 43 CO 0.61 0.18 1.06 0.00 0.23 0.00 0.00 176.35 178.43 2wg4 s ALA 44 N -1.27 2.67 0.25 4.21 0.00 -1.26 -4.62 121.76 121.73 2wg4 s ALA 44 Ca 0.34 0.24 -0.31 0.00 0.00 0.00 0.00 51.96 52.23 2wg4 s ALA 44 Cb -0.18 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 2wg4 s ALA 44 CO 0.20 -1.10 1.59 0.98 0.00 0.00 0.00 175.76 177.43 2wg4 n TYR 45 N -2.70 2.62 -1.36 0.00 9.36 -1.26 -1.50 117.16 122.32 2wg4 n TYR 45 Ca 0.08 0.24 -0.12 0.00 3.32 0.00 0.00 57.90 61.42 2wg4 n TYR 45 Cb 0.53 -2.58 -0.05 0.00 -0.63 0.00 0.00 39.34 36.61 2wg4 n TYR 45 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2wg4 n LYS 46 N 2.71 -1.16 -3.72 2.98 4.76 -0.84 -4.99 118.16 117.89 2wg4 n LYS 46 Ca 0.12 0.91 -0.32 0.00 -2.87 0.00 0.00 58.31 56.15 2wg4 n LYS 46 Cb 0.34 -5.06 -0.05 0.00 -1.84 0.00 0.00 35.03 28.42 2wg4 n LYS 46 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2wg4 s GLN 47 N -2.95 3.60 0.02 1.97 0.74 -0.56 -4.83 119.66 117.64 2wg4 s GLN 47 Ca 0.00 -0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.31 2wg4 s GLN 47 Cb 0.00 -2.94 -0.02 0.00 1.10 0.00 0.00 33.01 31.15 2wg4 s GLN 47 CO 0.00 0.54 -0.05 -0.59 -0.55 0.00 0.00 175.29 174.64 2wg4 s PHE 48 N -1.53 0.41 -0.05 1.67 -0.71 -1.26 -0.73 117.98 115.77 2wg4 s PHE 48 Ca 0.36 -0.35 0.02 0.00 -1.04 0.00 0.00 56.93 55.92 2wg4 s PHE 48 Cb -0.13 -0.26 0.02 0.00 -1.21 0.00 0.00 43.02 41.44 2wg4 s PHE 48 CO 0.23 -0.09 -0.07 0.42 -1.34 0.00 0.00 175.22 174.37 2wg4 s ILE 49 N -0.93 0.77 0.91 -4.49 1.01 0.20 -3.51 121.20 115.15 2wg4 s ILE 49 Ca -0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 2wg4 s ILE 49 Cb -0.07 -0.75 0.14 0.00 0.01 0.00 0.00 42.46 41.79 2wg4 s ILE 49 CO -0.00 0.28 1.09 -2.16 0.00 0.00 0.00 174.94 174.14 2wg4 s PRO 50 N 0.81 1.16 0.00 2.79 0.04 -1.26 -0.75 135.00 137.79 2wg4 s PRO 50 Ca -0.12 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 61.71 2wg4 s PRO 50 Cb -0.15 -1.80 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 2wg4 s PRO 50 CO 0.01 -2.31 2.71 -1.71 0.04 0.00 0.00 177.00 175.74 2wg4 n ASN 51 N -3.93 4.74 -3.76 6.66 5.15 -1.23 -4.79 115.26 118.09 2wg4 n ASN 51 Ca 0.07 -2.33 -0.21 0.00 -0.60 0.00 0.00 54.58 51.51 2wg4 n ASN 51 Cb 0.55 -1.17 -0.08 0.00 -0.53 0.00 0.00 39.78 38.55 2wg4 n ASN 51 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2wg4 s VAL 52 N 0.81 0.24 0.35 3.44 -7.23 -1.26 -5.12 120.40 111.63 2wg4 s VAL 52 Ca 0.36 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.25 2wg4 s VAL 52 Cb 0.17 -2.46 -0.11 0.00 0.56 0.00 0.00 36.38 34.55 2wg4 s VAL 52 CO 0.00 0.00 1.40 0.00 -0.31 0.00 0.00 175.10 176.19 2wg4 s ALA 53 N -3.46 3.54 0.24 1.32 0.00 -1.26 -4.91 121.76 117.23 2wg4 s ALA 53 Ca 0.35 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 2wg4 s ALA 53 Cb 0.03 -3.54 0.35 0.00 0.00 0.00 0.00 23.12 19.96 2wg4 s ALA 53 CO 0.21 -0.84 1.85 1.49 0.00 0.00 0.00 175.76 178.47 2wg4 h GLU 54 N 3.28 0.93 -1.07 0.00 4.81 -1.96 -2.71 114.58 117.85 2wg4 h GLU 54 Ca -0.50 -0.06 -0.33 0.00 -0.13 0.00 0.00 59.36 58.35 2wg4 h GLU 54 Cb 1.23 -0.21 -0.18 0.00 0.63 0.00 0.00 28.75 30.22 2wg4 h GLU 54 CO 0.65 0.62 0.42 1.63 -0.73 0.00 0.00 179.01 181.60 2wg4 n LYS 55 N -4.63 1.80 -3.85 1.92 5.02 -1.26 -1.13 118.16 116.03 2wg4 n LYS 55 Ca 0.13 -1.84 -0.24 0.00 -2.02 0.00 0.00 58.31 54.34 2wg4 n LYS 55 Cb 0.20 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 33.46 2wg4 n LYS 55 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wg4 s THR 56 N -2.15 5.25 0.54 -0.18 -4.23 -1.02 -3.33 115.64 110.53 2wg4 s THR 56 Ca 0.35 -0.74 0.23 0.00 -1.18 0.00 0.00 61.69 60.36 2wg4 s THR 56 Cb 0.29 -3.81 0.34 0.00 1.34 0.00 0.00 72.50 70.66 2wg4 s THR 56 CO 0.05 -0.26 2.09 -0.07 -0.54 0.00 0.00 174.62 175.89 2wg4 h LEU 57 N 1.53 0.00 -1.35 4.79 3.38 -1.89 0.69 115.31 122.47 2wg4 h LEU 57 Ca -0.50 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 2wg4 h LEU 57 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2wg4 h LEU 57 CO 0.64 0.00 -0.29 1.23 0.09 0.00 0.00 178.44 180.11 2wg4 h GLY 58 N 0.00 0.00 0.00 0.83 0.00 -1.93 -3.41 103.07 98.56 2wg4 h GLY 58 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2wg4 h GLY 58 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2wg4 n ALA 59 N -2.35 0.00 1.10 3.60 0.00 0.06 -4.92 120.51 118.01 2wg4 n ALA 59 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 2wg4 n ALA 59 Cb 0.39 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.00 2wg4 n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wg4 n SER 60 N 0.00 2.20 -0.17 0.00 7.64 -0.28 -4.73 113.62 118.28 2wg4 n SER 60 Ca 0.00 -1.62 0.02 0.00 1.01 0.00 0.00 58.87 58.28 2wg4 n SER 60 Cb 0.00 0.18 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 2wg4 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wg4 n GLY 61 N 1.35 -1.54 3.52 0.23 0.00 -0.18 -4.23 105.19 104.34 2wg4 n GLY 61 Ca 0.13 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 2wg4 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wg4 s ARG 62 N -1.43 -0.73 -0.25 1.61 3.00 -1.21 -4.25 118.95 115.69 2wg4 s ARG 62 Ca 0.00 0.81 -0.05 0.00 0.00 0.00 0.00 55.73 56.48 2wg4 s ARG 62 Cb 0.00 -1.58 -0.00 0.00 0.00 0.00 0.00 34.95 33.37 2wg4 s ARG 62 CO 0.00 -3.59 0.01 -0.47 0.00 0.00 0.00 175.30 171.26 2wg4 s TYR 63 N -2.54 3.05 0.00 -0.53 5.04 -1.26 -5.01 117.35 116.11 2wg4 s TYR 63 Ca 0.68 -0.93 -0.11 0.00 -2.44 0.00 0.00 57.07 54.27 2wg4 s TYR 63 Cb -0.24 -2.17 -0.32 0.00 0.35 0.00 0.00 41.96 39.58 2wg4 s TYR 63 CO 0.63 -0.54 0.87 0.93 -1.34 0.00 0.00 175.55 176.10 2wg4 h GLU 64 N 8.16 0.43 0.00 4.97 4.39 -1.98 -3.50 114.58 127.05 2wg4 h GLU 64 Ca -0.37 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 58.60 2wg4 h GLU 64 Cb 1.15 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 2wg4 h GLU 64 CO 0.60 1.33 0.00 0.41 -1.16 0.00 0.00 179.01 180.19 2wg4 n GLY 65 N 1.75 2.66 3.75 -3.84 0.00 -1.26 -5.13 105.19 103.12 2wg4 n GLY 65 Ca -0.19 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2wg4 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wg4 s LYS 66 N -2.00 4.35 -0.37 1.61 2.20 -1.26 -4.72 119.74 119.55 2wg4 s LYS 66 Ca 0.00 2.17 -0.14 0.00 -0.36 0.00 0.00 55.97 57.65 2wg4 s LYS 66 Cb 0.00 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 2wg4 s LYS 66 CO 0.00 -0.26 0.26 0.42 -0.36 0.00 0.00 175.35 175.41 2wg4 s ILE 67 N -0.41 5.19 0.00 5.43 1.01 0.05 -5.02 121.20 127.46 2wg4 s ILE 67 Ca 0.54 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2wg4 s ILE 67 Cb -0.39 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2wg4 s ILE 67 CO 0.45 -0.17 0.00 0.35 0.00 0.00 0.00 174.94 175.57 2wg4 n THR 68 N 5.12 0.00 -0.02 2.92 -2.24 -1.26 -4.87 114.28 113.93 2wg4 n THR 68 Ca -0.12 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 2wg4 n THR 68 Cb 0.48 -0.68 -0.13 0.00 -2.10 0.00 0.00 70.33 67.89 2wg4 n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wg4 n ARG 69 N -0.27 0.73 0.00 -0.78 1.74 -1.26 -3.95 116.66 112.87 2wg4 n ARG 69 Ca 0.00 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.50 2wg4 n ARG 69 Cb 0.00 -1.70 0.69 0.00 -1.02 0.00 0.00 32.46 30.43 2wg4 n ARG 69 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wg4 n ASN 70 N -3.61 0.00 -4.71 0.55 0.23 -1.26 -4.68 115.26 101.78 2wg4 n ASN 70 Ca -0.33 -0.84 -0.38 0.00 -0.53 0.00 0.00 54.58 52.50 2wg4 n ASN 70 Cb 0.99 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.63 2wg4 n ASN 70 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2wg4 s SER 71 N -1.94 6.65 0.57 0.53 1.04 -1.25 -4.97 113.70 114.32 2wg4 s SER 71 Ca 0.35 0.77 0.27 0.00 0.48 0.00 0.00 55.95 57.83 2wg4 s SER 71 Cb 0.16 -2.29 1.52 0.00 0.10 0.00 0.00 66.02 65.51 2wg4 s SER 71 CO 0.27 -0.05 2.01 -0.33 0.98 0.00 0.00 173.24 176.13 2wg4 h GLU 72 N 6.93 0.00 0.00 4.02 3.07 -1.90 -0.85 114.58 125.85 2wg4 h GLU 72 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2wg4 h GLU 72 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2wg4 h GLU 72 CO 0.75 0.00 0.00 -2.13 -1.40 0.00 0.00 179.01 176.23 2wg4 n ARG 73 N -3.97 0.73 0.06 2.33 0.63 -1.26 -3.23 116.66 111.94 2wg4 n ARG 73 Ca 0.06 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.08 2wg4 n ARG 73 Cb 0.50 -1.43 0.40 0.00 0.45 0.00 0.00 32.46 32.38 2wg4 n ARG 73 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2wg4 n PHE 74 N -0.93 0.35 0.84 -0.14 -0.00 -0.33 -2.98 117.46 114.29 2wg4 n PHE 74 Ca 0.15 0.14 0.14 0.00 -0.00 0.00 0.00 57.45 57.87 2wg4 n PHE 74 Cb 0.07 -0.72 0.53 0.00 -0.00 0.00 0.00 39.48 39.36 2wg4 n PHE 74 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2wg4 n LYS 75 N -1.82 0.11 0.05 -4.13 4.76 -1.20 -2.60 118.16 113.33 2wg4 n LYS 75 Ca 0.03 0.09 0.13 0.00 -2.87 0.00 0.00 58.31 55.70 2wg4 n LYS 75 Cb 0.21 -1.62 0.50 0.00 -1.84 0.00 0.00 35.03 32.27 2wg4 n LYS 75 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wg4 n GLU 76 N -1.81 0.14 -3.39 1.97 1.02 -1.16 -4.74 120.64 112.67 2wg4 n GLU 76 Ca 0.06 0.11 -0.38 0.00 -0.02 0.00 0.00 57.16 56.93 2wg4 n GLU 76 Cb 0.37 -1.66 -0.08 0.00 -0.02 0.00 0.00 31.44 30.06 2wg4 n GLU 76 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wg4 s LEU 77 N -3.81 4.14 0.02 -4.62 1.43 -1.07 -4.24 118.68 110.53 2wg4 s LEU 77 Ca 0.12 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 2wg4 s LEU 77 Cb 0.15 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 2wg4 s LEU 77 CO 0.57 -0.09 -0.05 0.42 0.23 0.00 0.00 176.35 177.43 2wg4 s THR 78 N 1.41 0.27 0.45 5.49 -4.23 -0.93 -4.74 115.64 113.37 2wg4 s THR 78 Ca 0.18 -0.81 -0.25 0.00 -1.18 0.00 0.00 61.69 59.63 2wg4 s THR 78 Cb -0.15 -0.36 -0.08 0.00 1.34 0.00 0.00 72.50 73.25 2wg4 s THR 78 CO 0.08 -0.35 1.37 -2.84 -0.54 0.00 0.00 174.62 172.34 2wg4 s PRO 79 N -1.23 3.72 -0.42 3.99 0.02 -1.26 -1.93 135.00 137.89 2wg4 s PRO 79 Ca -0.11 2.29 -0.07 0.00 0.02 0.00 0.00 61.00 63.13 2wg4 s PRO 79 Cb -0.08 -2.63 0.09 0.00 0.02 0.00 0.00 34.50 31.89 2wg4 s PRO 79 CO -0.00 -0.74 0.24 1.21 -0.33 0.00 0.00 177.00 177.38 2wg4 s ASN 80 N -0.66 5.50 -0.58 2.53 3.84 -0.34 -4.91 114.94 120.32 2wg4 s ASN 80 Ca 0.61 -1.69 -0.02 0.00 0.21 0.00 0.00 52.86 51.97 2wg4 s ASN 80 Cb -0.41 -1.93 0.34 0.00 -0.55 0.00 0.00 41.25 38.70 2wg4 s ASN 80 CO 0.52 -0.55 2.09 -1.22 -2.79 0.00 0.00 177.10 175.15 2wg4 n TYR 81 N 4.82 2.62 -2.31 0.43 4.01 -1.26 -4.91 117.16 120.55 2wg4 n TYR 81 Ca -0.08 -2.58 -0.43 0.00 -0.16 0.00 0.00 57.90 54.66 2wg4 n TYR 81 Cb 0.42 -1.28 -0.02 0.00 -0.31 0.00 0.00 39.34 38.14 2wg4 n TYR 81 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2wg4 s ASN 82 N -1.02 6.69 0.20 7.72 3.84 -1.26 -4.88 114.94 126.22 2wg4 s ASN 82 Ca 0.54 1.56 0.20 0.00 0.21 0.00 0.00 52.86 55.36 2wg4 s ASN 82 Cb 0.42 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 39.45 2wg4 s ASN 82 CO -0.08 -1.01 1.60 -0.81 -2.79 0.00 0.00 177.10 174.02 2wg4 n PRO 83 N 7.15 0.13 -0.88 0.43 -0.04 -1.26 -2.28 135.00 138.25 2wg4 n PRO 83 Ca 0.16 0.43 -0.04 0.00 -0.04 0.00 0.00 63.50 64.01 2wg4 n PRO 83 Cb 0.45 -1.78 0.28 0.00 -0.04 0.00 0.00 33.50 32.41 2wg4 n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wg4 n ASP 84 N -2.04 4.59 -3.88 3.54 8.00 -1.26 -4.87 116.55 120.64 2wg4 n ASP 84 Ca 0.02 -3.02 -0.16 0.00 0.71 0.00 0.00 54.79 52.34 2wg4 n ASP 84 Cb 0.16 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.40 2wg4 n ASP 84 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wg4 s ILE 85 N -2.64 0.25 -0.32 0.53 1.01 -0.97 -3.86 121.20 115.20 2wg4 s ILE 85 Ca 0.48 -0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.94 2wg4 s ILE 85 Cb 0.38 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.56 2wg4 s ILE 85 CO 0.12 0.11 0.29 -0.63 0.00 0.00 0.00 174.94 174.84 2wg4 s ILE 86 N 0.43 5.23 -0.30 2.92 1.09 0.13 -4.92 121.20 125.77 2wg4 s ILE 86 Ca -0.04 0.03 -0.11 0.00 -1.10 0.00 0.00 60.65 59.42 2wg4 s ILE 86 Cb -0.07 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 2wg4 s ILE 86 CO -0.01 0.02 0.19 -0.36 -0.10 0.00 0.00 174.94 174.68 2wg4 s PHE 87 N 1.88 3.21 0.04 3.97 0.08 -1.26 0.48 117.98 126.37 2wg4 s PHE 87 Ca 0.09 -0.11 -0.26 0.00 0.12 0.00 0.00 56.93 56.77 2wg4 s PHE 87 Cb -0.17 -2.40 -0.17 0.00 -0.57 0.00 0.00 43.02 39.72 2wg4 s PHE 87 CO 0.11 -0.27 1.49 -0.22 -0.10 0.00 0.00 175.22 176.22 2wg4 h LYS 88 N 8.39 -0.34 -3.08 0.44 3.64 -1.74 -3.49 116.57 120.38 2wg4 h LYS 88 Ca -0.34 0.02 0.33 0.00 -1.27 0.00 0.00 60.65 59.40 2wg4 h LYS 88 Cb 1.17 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.95 2wg4 h LYS 88 CO 0.59 -0.11 -0.75 -3.47 -2.27 0.00 0.00 179.45 173.44 2wg4 n ASP 89 N -5.17 -7.73 -0.53 4.20 -0.08 -1.26 -5.14 116.55 100.84 2wg4 n ASP 89 Ca -0.10 0.85 0.00 0.00 -1.51 0.00 0.00 54.79 54.03 2wg4 n ASP 89 Cb 0.21 -4.29 0.00 0.00 2.34 0.00 0.00 41.12 39.38 2wg4 n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wg4 n ALA 95 N -2.98 0.00 1.11 -1.67 0.00 -1.26 -5.18 120.51 110.53 2wg4 n ALA 95 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2wg4 n ALA 95 Cb 0.66 -0.13 0.17 0.00 0.00 0.00 0.00 19.45 20.15 2wg4 n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wg4 n ASP 96 N 0.54 1.41 0.02 0.00 2.03 -1.26 -4.10 116.55 115.18 2wg4 n ASP 96 Ca 0.00 -1.12 0.11 0.00 0.52 0.00 0.00 54.79 54.30 2wg4 n ASP 96 Cb 0.00 0.35 0.04 0.00 -0.72 0.00 0.00 41.12 40.79 2wg4 n ASP 96 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2wg4 n ARG 97 N -0.51 0.18 -2.11 -0.67 1.74 -1.26 -4.53 116.66 109.51 2wg4 n ARG 97 Ca 0.10 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 2wg4 n ARG 97 Cb 0.40 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 2wg4 n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wg4 s LEU 98 N -3.58 4.38 -0.05 0.55 1.43 -1.26 -1.19 118.68 118.95 2wg4 s LEU 98 Ca 0.06 2.45 -0.31 0.00 -1.03 0.00 0.00 54.13 55.30 2wg4 s LEU 98 Cb 0.15 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.89 2wg4 s LEU 98 CO 0.79 -0.67 1.04 0.00 0.23 0.00 0.00 176.35 177.75 2wg4 s MET 99 N 0.60 0.65 0.78 1.70 0.23 -0.81 -4.15 119.30 118.29 2wg4 s MET 99 Ca 0.63 -0.27 -0.11 0.00 -1.03 0.00 0.00 55.69 54.91 2wg4 s MET 99 Cb -0.39 0.28 0.06 0.00 -1.53 0.00 0.00 34.83 33.25 2wg4 s MET 99 CO 0.34 -0.29 1.09 0.95 -2.03 0.00 0.00 175.02 175.08 2wg4 s THR 100 N -2.83 3.33 0.08 3.16 -4.23 -1.08 -2.18 115.64 111.88 2wg4 s THR 100 Ca 0.08 0.43 -0.26 0.00 -1.18 0.00 0.00 61.69 60.76 2wg4 s THR 100 Cb -0.01 -2.94 -0.16 0.00 1.34 0.00 0.00 72.50 70.73 2wg4 s THR 100 CO -0.06 -0.56 1.68 1.56 -0.54 0.00 0.00 174.62 176.69 2wg4 h GLN 101 N -1.13 -0.27 -0.35 3.99 1.08 -1.94 0.93 115.11 117.42 2wg4 h GLN 101 Ca -0.44 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 56.88 2wg4 h GLN 101 Cb 1.23 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.71 2wg4 h GLN 101 CO 0.52 -0.16 0.27 -0.09 -0.95 0.00 0.00 178.83 178.42 2wg4 h ARG 102 N -0.30 0.00 -0.02 1.46 2.43 -1.93 0.25 114.38 116.26 2wg4 h ARG 102 Ca -0.03 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 2wg4 h ARG 102 Cb 0.23 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2wg4 h ARG 102 CO 0.05 0.00 -0.74 0.00 -1.51 0.00 0.00 179.97 177.77 2wg4 h LYS 104 N 0.11 0.76 0.71 0.00 1.57 0.17 0.13 116.57 120.02 2wg4 h LYS 104 Ca -0.09 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2wg4 h LYS 104 Cb 1.42 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.56 2wg4 h LYS 104 CO 0.15 0.50 -0.34 -0.44 -0.57 0.00 0.00 179.45 178.75 2wg4 h ASP 105 N 0.79 -0.81 -0.86 0.86 3.32 -0.70 0.11 116.42 119.13 2wg4 h ASP 105 Ca 0.24 0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.49 2wg4 h ASP 105 Cb -0.02 0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 2wg4 h ASP 105 CO -0.08 -0.54 0.57 0.11 -1.72 0.00 0.00 179.24 177.57 2wg4 h LYS 106 N -1.04 0.50 -0.05 3.56 6.56 -1.43 0.13 116.57 124.80 2wg4 h LYS 106 Ca -0.10 -0.03 -0.19 0.00 -1.06 0.00 0.00 60.65 59.27 2wg4 h LYS 106 Cb 0.73 -0.11 0.01 0.00 -0.57 0.00 0.00 32.23 32.29 2wg4 h LYS 106 CO 0.16 0.33 -0.70 1.25 -2.06 0.00 0.00 179.45 178.43 2wg4 h LEU 107 N 0.52 0.70 -0.83 2.94 5.85 -0.88 -2.44 115.31 121.17 2wg4 h LEU 107 Ca 0.44 -0.70 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 2wg4 h LEU 107 Cb 0.93 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 2wg4 h LEU 107 CO -0.18 1.31 0.18 0.78 -0.34 0.00 0.00 178.44 180.19 2wg4 h ASN 108 N 0.17 0.98 0.16 1.25 2.35 0.13 -0.07 115.58 120.55 2wg4 h ASN 108 Ca -0.07 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.43 2wg4 h ASN 108 Cb 1.37 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 2wg4 h ASN 108 CO 0.14 0.94 -0.21 0.00 -1.65 0.00 0.00 177.43 176.65 2wg4 h ALA 109 N 1.19 1.55 0.09 -0.83 0.00 -0.80 -2.83 119.26 117.64 2wg4 h ALA 109 Ca 0.21 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 2wg4 h ALA 109 Cb 0.33 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.09 2wg4 h ALA 109 CO -0.00 0.33 -1.20 1.25 0.00 0.00 0.00 179.25 179.63 2wg4 h LEU 110 N 0.08 0.88 -0.93 0.00 5.85 -0.89 -3.12 115.31 117.19 2wg4 h LEU 110 Ca 0.02 -0.79 0.20 0.00 0.84 0.00 0.00 57.88 58.15 2wg4 h LEU 110 Cb 0.42 -0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.06 2wg4 h LEU 110 CO 0.03 1.59 0.50 0.00 -0.34 0.00 0.00 178.44 180.22 2wg4 h ALA 111 N 0.33 1.52 -0.05 1.25 0.00 -0.77 -0.18 119.26 121.36 2wg4 h ALA 111 Ca -0.17 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wg4 h ALA 111 Cb 1.87 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 2wg4 h ALA 111 CO 0.23 -0.20 -0.02 0.82 0.00 0.00 0.00 179.25 180.08 2wg4 h ILE 112 N 0.58 1.32 -0.57 0.00 5.03 -1.61 -3.19 117.51 119.06 2wg4 h ILE 112 Ca 0.56 -1.01 0.17 0.00 -0.12 0.00 0.00 64.86 64.46 2wg4 h ILE 112 Cb 0.96 1.90 -0.02 0.00 -3.03 0.00 0.00 36.82 36.62 2wg4 h ILE 112 CO -0.44 0.27 0.43 -1.28 -0.68 0.00 0.00 178.15 176.45 2wg4 h SER 113 N -0.29 0.00 0.40 1.72 0.87 -1.00 -0.09 113.55 115.15 2wg4 h SER 113 Ca 0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2wg4 h SER 113 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2wg4 h SER 113 CO 0.01 0.00 -0.19 0.58 -0.53 0.00 0.00 176.83 176.70 2wg4 h VAL 114 N 0.00 0.00 0.00 2.23 2.07 -1.29 -1.35 116.25 117.91 2wg4 h VAL 114 Ca 0.27 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2wg4 h VAL 114 Cb 1.13 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2wg4 h VAL 114 CO -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.55 2wg4 h MET 115 N -1.06 0.00 0.00 1.57 -0.00 -1.32 0.33 114.93 114.45 2wg4 h MET 115 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.56 2wg4 h MET 115 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.00 2wg4 h MET 115 CO 0.09 0.04 -0.43 -0.97 -0.00 0.00 0.00 176.91 175.64 2wg4 h ASN 116 N 0.00 0.00 0.02 -0.10 -1.24 -1.02 -3.34 115.58 109.90 2wg4 h ASN 116 Ca -0.00 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.83 2wg4 h ASN 116 Cb 0.16 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 2wg4 h ASN 116 CO 0.01 0.43 -0.96 -0.61 -1.29 0.00 0.00 177.43 175.00 2wg4 h GLN 117 N 0.00 0.04 -6.68 6.67 5.75 0.73 -3.48 115.11 118.15 2wg4 h GLN 117 Ca -0.00 -0.07 -0.67 0.00 -0.15 0.00 0.00 58.65 57.76 2wg4 h GLN 117 Cb 1.02 0.03 -0.18 0.00 1.07 0.00 0.00 27.48 29.41 2wg4 h GLN 117 CO 0.06 1.03 -0.80 -1.58 -2.65 0.00 0.00 178.83 174.90 2wg4 s TRP 118 N -2.35 2.51 -0.26 3.99 0.51 0.17 -5.09 118.94 118.42 2wg4 s TRP 118 Ca -0.25 -0.28 -0.29 0.00 -2.12 0.00 0.00 56.10 53.17 2wg4 s TRP 118 Cb 0.03 -1.30 -0.02 0.00 -0.81 0.00 0.00 33.47 31.37 2wg4 s TRP 118 CO 0.65 0.42 1.68 -2.14 -0.51 0.00 0.00 176.95 177.04 2wg4 s PRO 119 N -2.32 3.64 -1.97 4.98 0.02 -1.26 -3.45 135.00 134.64 2wg4 s PRO 119 Ca 0.19 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2wg4 s PRO 119 Cb -0.10 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.33 2wg4 s PRO 119 CO 0.11 -1.49 0.00 0.41 -0.33 0.00 0.00 177.00 175.70 2wg4 n GLY 120 N 4.94 1.29 3.58 0.52 0.00 -1.26 -4.97 105.19 109.28 2wg4 n GLY 120 Ca 0.20 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2wg4 n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wg4 s VAL 121 N -2.79 4.51 0.42 1.61 1.01 -1.22 -5.06 120.40 118.87 2wg4 s VAL 121 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.93 2wg4 s VAL 121 Cb 0.00 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2wg4 s VAL 121 CO 0.00 0.45 0.46 -0.54 0.00 0.00 0.00 175.10 175.47 2wg4 s LYS 122 N 0.55 2.64 -0.06 2.72 1.02 -1.26 -2.76 119.74 122.58 2wg4 s LYS 122 Ca 0.02 -1.43 -0.21 0.00 0.02 0.00 0.00 55.97 54.36 2wg4 s LYS 122 Cb -0.13 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 2wg4 s LYS 122 CO 0.01 -0.24 0.60 -1.17 -0.92 0.00 0.00 175.35 173.64 2wg4 s LEU 123 N -4.22 4.34 -0.13 3.17 2.96 -1.25 -2.74 118.68 120.81 2wg4 s LEU 123 Ca 0.51 1.08 0.02 0.00 -0.22 0.00 0.00 54.13 55.52 2wg4 s LEU 123 Cb -0.06 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.71 2wg4 s LEU 123 CO 0.30 -0.01 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.52 2wg4 s ARG 124 N 0.40 3.09 -0.25 1.98 3.52 -0.14 -0.70 118.95 126.86 2wg4 s ARG 124 Ca 0.32 -0.83 -0.09 0.00 -0.13 0.00 0.00 55.73 55.00 2wg4 s ARG 124 Cb -0.17 -2.45 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 2wg4 s ARG 124 CO 0.16 0.07 0.13 0.08 -0.81 0.00 0.00 175.30 174.93 2wg4 s VAL 125 N 0.63 4.91 -0.13 7.11 1.01 0.18 -0.66 120.40 133.45 2wg4 s VAL 125 Ca -0.11 0.03 0.19 0.00 0.00 0.00 0.00 61.98 62.09 2wg4 s VAL 125 Cb -0.16 -3.31 -0.25 0.00 0.00 0.00 0.00 36.38 32.66 2wg4 s VAL 125 CO 0.02 0.31 0.40 0.35 0.00 0.00 0.00 175.10 176.19 2wg4 n THR 126 N 4.76 0.89 -3.67 3.92 -2.24 0.43 -2.16 114.28 116.21 2wg4 n THR 126 Ca -0.15 -0.70 -0.13 0.00 -2.27 0.00 0.00 64.05 60.80 2wg4 n THR 126 Cb 0.52 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.28 2wg4 n THR 126 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wg4 s GLU 127 N -2.94 0.66 0.00 -0.78 2.56 -1.17 -4.74 118.70 112.30 2wg4 s GLU 127 Ca -0.07 0.86 0.00 0.00 0.00 0.00 0.00 54.97 55.76 2wg4 s GLU 127 Cb 0.09 0.28 0.00 0.00 2.00 0.00 0.00 34.13 36.50 2wg4 s GLU 127 CO 0.85 -0.10 0.00 0.41 -0.56 0.00 0.00 175.26 175.86 2wg4 n GLY 128 N 3.07 1.97 3.75 -1.50 0.00 -1.26 -0.40 105.19 110.82 2wg4 n GLY 128 Ca -0.15 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 2wg4 n GLY 128 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2wg4 s TRP 129 N 1.50 3.81 -0.37 1.61 -0.00 -1.26 -4.61 118.94 119.63 2wg4 s TRP 129 Ca 0.00 1.62 -0.10 0.00 -0.00 0.00 0.00 56.10 57.62 2wg4 s TRP 129 Cb 0.00 -2.87 0.03 0.00 -0.00 0.00 0.00 33.47 30.63 2wg4 s TRP 129 CO 0.00 0.33 0.18 0.34 -0.00 0.00 0.00 176.95 177.80 2wg4 s ASP 130 N -0.39 5.64 0.58 5.86 -1.08 -0.38 -4.85 116.67 122.05 2wg4 s ASP 130 Ca 0.40 -1.05 0.36 0.00 -0.52 0.00 0.00 52.55 51.74 2wg4 s ASP 130 Cb -0.22 -1.99 1.67 0.00 -1.46 0.00 0.00 42.92 40.92 2wg4 s ASP 130 CO 0.26 -0.38 2.10 -0.08 0.52 0.00 0.00 175.17 177.59 2wg4 h GLU 131 N 8.38 0.00 -0.96 4.34 4.81 -1.90 -3.44 114.58 125.82 2wg4 h GLU 131 Ca -0.25 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.20 2wg4 h GLU 131 Cb 1.10 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 30.15 2wg4 h GLU 131 CO 0.65 0.02 0.75 0.16 -0.73 0.00 0.00 179.01 179.87 2wg4 s ASP 132 N -5.60 -0.04 0.78 1.04 1.47 -1.26 -4.92 116.67 108.14 2wg4 s ASP 132 Ca -0.01 0.06 0.00 0.00 1.18 0.00 0.00 52.55 53.78 2wg4 s ASP 132 Cb 0.11 1.02 0.00 0.00 -0.34 0.00 0.00 42.92 43.70 2wg4 s ASP 132 CO 0.51 -0.01 0.00 0.61 0.68 0.00 0.00 175.17 176.96 2wg4 n GLY 133 N 3.16 0.59 4.04 2.12 0.00 -1.26 -4.87 105.19 108.98 2wg4 n GLY 133 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2wg4 n GLY 133 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wg4 n HIS 134 N 0.00 0.00 -3.90 1.61 8.25 -1.26 -4.88 115.22 115.03 2wg4 n HIS 134 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2wg4 n HIS 134 Cb 0.00 -1.16 -0.09 0.00 1.12 0.00 0.00 29.99 29.86 2wg4 n HIS 134 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2wg4 s HIS 135 N -1.44 0.15 0.55 4.41 3.76 -1.26 -5.15 115.29 116.31 2wg4 s HIS 135 Ca 0.00 -0.43 -0.18 0.00 -0.15 0.00 0.00 55.06 54.30 2wg4 s HIS 135 Cb 0.00 -0.11 -0.06 0.00 1.11 0.00 0.00 32.58 33.53 2wg4 s HIS 135 CO 0.00 -0.39 1.05 -1.54 -0.85 0.00 0.00 174.74 173.01 2wg4 s SER 136 N -2.13 6.01 0.62 1.40 1.04 -1.26 -4.99 113.70 114.39 2wg4 s SER 136 Ca -0.05 1.87 -0.18 0.00 0.48 0.00 0.00 55.95 58.07 2wg4 s SER 136 Cb -0.01 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2wg4 s SER 136 CO -0.04 -1.01 0.94 -0.62 0.98 0.00 0.00 173.24 173.48 2wg4 n GLU 137 N -1.59 0.81 -1.10 4.02 -0.58 -1.26 -2.70 120.64 118.24 2wg4 n GLU 137 Ca 0.09 0.32 -0.03 0.00 -0.42 0.00 0.00 57.16 57.12 2wg4 n GLU 137 Cb 0.53 -2.15 -0.01 0.00 -0.57 0.00 0.00 31.44 29.23 2wg4 n GLU 137 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2wg4 n GLU 138 N -1.10 -0.65 -2.56 3.49 1.02 -1.26 -4.99 120.64 114.60 2wg4 n GLU 138 Ca 0.14 0.44 -0.42 0.00 -0.02 0.00 0.00 57.16 57.30 2wg4 n GLU 138 Cb 0.48 -4.11 -0.03 0.00 -0.02 0.00 0.00 31.44 27.75 2wg4 n GLU 138 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2wg4 s SER 139 N -2.40 7.25 0.16 1.62 0.15 -1.10 -4.91 113.70 114.47 2wg4 s SER 139 Ca 0.00 1.92 0.15 0.00 0.70 0.00 0.00 55.95 58.72 2wg4 s SER 139 Cb 0.00 -2.58 0.71 0.00 -1.71 0.00 0.00 66.02 62.44 2wg4 s SER 139 CO 0.00 -0.30 1.47 0.18 1.20 0.00 0.00 173.24 175.79 2wg4 n LEU 140 N 3.34 0.33 0.27 3.45 4.77 -1.26 -0.42 117.00 127.48 2wg4 n LEU 140 Ca 0.06 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.80 2wg4 n LEU 140 Cb 0.48 -0.62 0.78 0.00 -2.33 0.00 0.00 43.42 41.73 2wg4 n LEU 140 CO 0.54 -0.59 1.00 0.45 -1.33 0.00 0.00 177.39 177.46 2wg4 h HIS 141 N 0.00 0.00 0.00 -1.77 3.86 -1.84 -1.22 115.15 114.18 2wg4 h HIS 141 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wg4 h HIS 141 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2wg4 h HIS 141 CO 0.00 0.09 0.00 0.66 0.86 0.00 0.00 177.93 179.54 2wg4 n TYR 142 N -3.51 0.27 -0.20 2.45 4.01 0.44 -1.25 117.16 119.36 2wg4 n TYR 142 Ca -0.02 0.09 0.03 0.00 -0.16 0.00 0.00 57.90 57.83 2wg4 n TYR 142 Cb 0.23 -0.64 0.05 0.00 -0.31 0.00 0.00 39.34 38.67 2wg4 n TYR 142 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wg4 n GLU 143 N -1.72 2.75 -1.81 -0.72 1.02 -0.53 -0.77 120.64 118.86 2wg4 n GLU 143 Ca 0.05 -1.78 -0.21 0.00 -0.02 0.00 0.00 57.16 55.21 2wg4 n GLU 143 Cb 0.31 -1.14 -0.07 0.00 -0.02 0.00 0.00 31.44 30.52 2wg4 n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wg4 n GLY 144 N -0.46 1.31 0.82 0.62 0.00 -1.03 -4.70 105.19 101.75 2wg4 n GLY 144 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2wg4 n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wg4 n ARG 145 N -2.54 1.84 -4.24 1.61 1.74 -0.79 -2.62 116.66 111.65 2wg4 n ARG 145 Ca -0.22 -1.75 -0.21 0.00 -0.77 0.00 0.00 57.85 54.91 2wg4 n ARG 145 Cb 0.68 -1.39 -0.12 0.00 -1.02 0.00 0.00 32.46 30.61 2wg4 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wg4 s ALA 146 N -1.60 1.53 -0.06 7.54 0.00 -1.18 -0.78 121.76 127.21 2wg4 s ALA 146 Ca 0.25 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 2wg4 s ALA 146 Cb 0.17 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.14 2wg4 s ALA 146 CO 0.25 0.25 0.18 0.14 0.00 0.00 0.00 175.76 176.58 2wg4 s VAL 147 N -1.33 0.01 -0.21 0.00 -7.23 0.92 -4.43 120.40 108.12 2wg4 s VAL 147 Ca 0.04 -0.12 -0.07 0.00 -1.81 0.00 0.00 61.98 60.02 2wg4 s VAL 147 Cb -0.09 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.52 2wg4 s VAL 147 CO 0.03 -0.06 0.05 -1.81 -0.31 0.00 0.00 175.10 173.00 2wg4 s ASP 148 N -0.16 5.25 0.08 4.85 1.01 0.46 -0.60 116.67 127.56 2wg4 s ASP 148 Ca -0.03 -0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.19 2wg4 s ASP 148 Cb -0.02 -1.92 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 2wg4 s ASP 148 CO 0.01 0.06 -0.16 0.27 0.21 0.00 0.00 175.17 175.55 2wg4 s ILE 149 N 1.04 1.29 0.27 0.77 -4.36 0.15 -0.43 121.20 119.92 2wg4 s ILE 149 Ca 0.04 -1.36 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 2wg4 s ILE 149 Cb -0.14 -1.21 -0.03 0.00 1.25 0.00 0.00 42.46 42.33 2wg4 s ILE 149 CO 0.03 -0.17 0.25 0.42 0.24 0.00 0.00 174.94 175.71 2wg4 s THR 150 N -1.22 0.00 0.64 8.37 -4.23 0.16 -1.75 115.64 117.61 2wg4 s THR 150 Ca 0.01 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 58.51 2wg4 s THR 150 Cb -0.10 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2wg4 s THR 150 CO 0.03 0.00 1.00 0.42 -0.54 0.00 0.00 174.62 175.53 2wg4 s THR 151 N -3.75 3.80 0.21 3.99 -4.23 -1.26 -0.96 115.64 113.44 2wg4 s THR 151 Ca 0.38 0.35 -0.07 0.00 -1.18 0.00 0.00 61.69 61.17 2wg4 s THR 151 Cb 0.04 -3.55 0.13 0.00 1.34 0.00 0.00 72.50 70.46 2wg4 s THR 151 CO 0.19 -0.66 1.74 0.77 -0.54 0.00 0.00 174.62 176.12 2wg4 h SER 152 N -0.39 1.04 0.21 3.99 4.64 -1.86 -2.62 113.55 118.56 2wg4 h SER 152 Ca -0.45 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 2wg4 h SER 152 Cb 1.24 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2wg4 h SER 152 CO 0.62 0.99 0.00 -0.90 -0.87 0.00 0.00 176.83 176.67 2wg4 n ASP 153 N -4.24 0.00 -1.89 4.97 5.68 -1.26 -4.89 116.55 114.93 2wg4 n ASP 153 Ca 0.05 -0.69 -0.20 0.00 -0.50 0.00 0.00 54.79 53.45 2wg4 n ASP 153 Cb 0.25 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.07 2wg4 n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wg4 n ARG 154 N -1.10 -1.51 -2.25 0.11 1.74 -0.99 -4.90 116.66 107.76 2wg4 n ARG 154 Ca 0.20 1.13 -0.38 0.00 -0.77 0.00 0.00 57.85 58.03 2wg4 n ARG 154 Cb 0.16 -5.61 -0.03 0.00 -1.02 0.00 0.00 32.46 25.96 2wg4 n ARG 154 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2wg4 s ASP 155 N -2.49 5.65 0.63 0.55 2.15 -1.26 -4.83 116.67 117.07 2wg4 s ASP 155 Ca 0.00 -0.16 0.33 0.00 0.43 0.00 0.00 52.55 53.15 2wg4 s ASP 155 Cb 0.00 -2.55 1.84 0.00 -0.30 0.00 0.00 42.92 41.91 2wg4 s ASP 155 CO 0.00 -2.17 2.10 0.03 -0.17 0.00 0.00 175.17 174.97 2wg4 h ARG 156 N 12.54 0.00 -0.26 4.34 3.08 -1.90 -0.85 114.38 131.33 2wg4 h ARG 156 Ca -0.20 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 2wg4 h ARG 156 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2wg4 h ARG 156 CO 1.25 0.00 -0.34 0.66 -1.07 0.00 0.00 179.97 180.47 2wg4 h SER 157 N 0.00 0.58 0.78 7.04 4.64 -1.94 -2.93 113.55 121.73 2wg4 h SER 157 Ca 0.04 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 2wg4 h SER 157 Cb 0.46 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2wg4 h SER 157 CO -0.00 0.87 -0.26 0.11 -0.87 0.00 0.00 176.83 176.68 2wg4 h LYS 158 N 0.47 0.00 -0.99 4.77 1.57 -1.55 -3.29 116.57 117.55 2wg4 h LYS 158 Ca 0.05 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.07 2wg4 h LYS 158 Cb 0.82 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.00 2wg4 h LYS 158 CO 0.07 0.26 0.57 1.88 -0.57 0.00 0.00 179.45 181.66 2wg4 h TYR 159 N 0.00 0.98 -0.15 -1.35 -1.99 -1.56 0.86 116.97 113.76 2wg4 h TYR 159 Ca -0.00 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.79 2wg4 h TYR 159 Cb 0.72 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 39.15 2wg4 h TYR 159 CO 0.00 0.07 -0.05 0.78 -0.00 0.00 0.00 178.16 178.97 2wg4 h GLY 160 N 0.58 0.09 1.65 3.88 0.00 -1.76 -1.35 103.07 106.16 2wg4 h GLY 160 Ca 0.62 0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.88 2wg4 h GLY 160 CO -0.47 -0.07 -0.51 1.98 0.00 0.00 0.00 176.54 177.47 2wg4 h MET 161 N -0.02 0.38 -0.34 4.80 1.85 -1.36 -0.76 114.93 119.47 2wg4 h MET 161 Ca 0.07 -0.22 0.06 0.00 -0.61 0.00 0.00 59.70 59.00 2wg4 h MET 161 Cb 0.13 0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.13 2wg4 h MET 161 CO -0.16 0.80 0.00 1.25 -0.40 0.00 0.00 176.91 178.40 2wg4 h LEU 162 N 0.30 -0.13 -0.47 3.39 5.85 -0.41 -0.24 115.31 123.60 2wg4 h LEU 162 Ca 0.01 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2wg4 h LEU 162 Cb 1.01 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 2wg4 h LEU 162 CO 0.09 -0.03 0.19 0.00 -0.34 0.00 0.00 178.44 178.35 2wg4 h ALA 163 N 1.29 0.57 -0.72 1.25 0.00 -1.20 -0.76 119.26 119.69 2wg4 h ALA 163 Ca 0.16 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2wg4 h ALA 163 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2wg4 h ALA 163 CO -0.27 -0.19 0.41 -0.09 0.00 0.00 0.00 179.25 179.10 2wg4 h ARG 164 N 0.38 0.72 -0.38 0.00 9.65 -1.29 0.01 114.38 123.46 2wg4 h ARG 164 Ca 0.22 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.02 2wg4 h ARG 164 Cb 0.19 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2wg4 h ARG 164 CO -0.20 0.48 0.09 -0.07 2.80 0.00 0.00 179.97 183.07 2wg4 h LEU 165 N 0.74 0.52 -0.80 3.80 3.38 -0.14 -1.27 115.31 121.53 2wg4 h LEU 165 Ca 0.33 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 2wg4 h LEU 165 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2wg4 h LEU 165 CO -0.19 0.52 -0.44 0.00 0.09 0.00 0.00 178.44 178.42 2wg4 h ALA 166 N 1.55 0.97 -0.21 1.53 0.00 0.14 0.31 119.26 123.55 2wg4 h ALA 166 Ca 0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2wg4 h ALA 166 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wg4 h ALA 166 CO -0.00 0.63 0.04 0.28 0.00 0.00 0.00 179.25 180.20 2wg4 h VAL 167 N 0.29 1.22 0.00 0.00 2.07 -0.10 -2.64 116.25 117.09 2wg4 h VAL 167 Ca 0.02 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2wg4 h VAL 167 Cb 0.89 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2wg4 h VAL 167 CO 0.07 0.23 -0.14 -0.33 0.02 0.00 0.00 177.57 177.42 2wg4 h GLU 168 N 0.16 0.00 0.00 1.57 4.39 -1.17 -2.65 114.58 116.87 2wg4 h GLU 168 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2wg4 h GLU 168 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2wg4 h GLU 168 CO 0.00 0.14 0.00 0.00 -1.16 0.00 0.00 179.01 178.00 2wg4 h ALA 169 N 1.86 1.00 0.00 3.43 0.00 -0.67 -3.46 119.26 121.42 2wg4 h ALA 169 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wg4 h ALA 169 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2wg4 h ALA 169 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2wg4 n GLY 170 N -0.28 1.23 3.72 0.00 0.00 -1.00 -4.77 105.19 104.08 2wg4 n GLY 170 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wg4 n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wg4 s PHE 171 N -2.00 3.11 0.10 1.61 0.08 -1.02 -4.88 117.98 114.97 2wg4 s PHE 171 Ca 0.00 0.74 0.33 0.00 0.12 0.00 0.00 56.93 58.12 2wg4 s PHE 171 Cb 0.00 -3.83 1.58 0.00 -0.57 0.00 0.00 43.02 40.20 2wg4 s PHE 171 CO 0.00 -3.03 1.98 -0.44 -0.10 0.00 0.00 175.22 173.64 2wg4 h ASP 172 N 6.87 0.00 -1.20 1.36 3.32 -1.73 -3.41 116.42 121.63 2wg4 h ASP 172 Ca -0.42 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.76 2wg4 h ASP 172 Cb 1.21 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.54 2wg4 h ASP 172 CO 0.90 0.00 -0.02 0.86 -1.72 0.00 0.00 179.24 179.26 2wg4 s TRP 173 N -3.72 -1.09 0.03 4.55 -0.00 -0.96 -4.26 118.94 113.49 2wg4 s TRP 173 Ca -0.01 1.57 0.05 0.00 -0.00 0.00 0.00 56.10 57.71 2wg4 s TRP 173 Cb 0.10 0.53 -0.03 0.00 -0.00 0.00 0.00 33.47 34.07 2wg4 s TRP 173 CO 0.40 -0.56 -0.12 0.08 -0.00 0.00 0.00 176.95 176.74 2wg4 s VAL 174 N 2.76 3.23 -0.16 5.86 1.01 0.08 -1.55 120.40 131.63 2wg4 s VAL 174 Ca 0.02 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 2wg4 s VAL 174 Cb -0.11 -2.40 0.07 0.00 0.00 0.00 0.00 36.38 33.95 2wg4 s VAL 174 CO -0.18 0.34 0.33 -0.47 0.00 0.00 0.00 175.10 175.12 2wg4 s TYR 175 N -0.98 -0.58 -0.87 5.22 5.04 -0.22 -0.63 117.35 124.32 2wg4 s TYR 175 Ca 0.16 1.20 -0.23 0.00 -2.44 0.00 0.00 57.07 55.76 2wg4 s TYR 175 Cb -0.11 0.10 -0.15 0.00 0.35 0.00 0.00 41.96 42.15 2wg4 s TYR 175 CO 0.07 -0.40 1.91 0.98 -1.34 0.00 0.00 175.55 176.76 2wg4 n TYR 176 N 5.34 2.00 -0.38 4.97 4.19 0.09 -1.66 117.16 131.72 2wg4 n TYR 176 Ca -0.07 -1.50 -0.01 0.00 3.31 0.00 0.00 57.90 59.62 2wg4 n TYR 176 Cb 0.50 -2.01 0.12 0.00 0.49 0.00 0.00 39.34 38.44 2wg4 n TYR 176 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 2wg4 h GLU 177 N 8.90 1.30 -2.47 2.98 4.22 -1.86 -2.24 114.58 125.40 2wg4 h GLU 177 Ca 0.32 -0.08 0.18 0.00 0.08 0.00 0.00 59.36 59.85 2wg4 h GLU 177 Cb 0.79 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2wg4 h GLU 177 CO 1.65 0.86 0.60 -1.54 -2.18 0.00 0.00 179.01 178.40 2wg4 s SER 178 N -6.08 -0.02 0.50 1.04 1.04 -1.13 -4.84 113.70 104.20 2wg4 s SER 178 Ca -0.13 -0.61 0.17 0.00 0.48 0.00 0.00 55.95 55.85 2wg4 s SER 178 Cb 0.18 0.47 1.21 0.00 0.10 0.00 0.00 66.02 67.99 2wg4 s SER 178 CO 0.82 -0.93 2.08 0.11 0.98 0.00 0.00 173.24 176.30 2wg4 h LYS 179 N 2.00 0.13 0.00 4.02 1.57 -1.98 -3.13 116.57 119.18 2wg4 h LYS 179 Ca -0.27 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.39 2wg4 h LYS 179 Cb 1.22 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 2wg4 h LYS 179 CO 0.34 0.08 -0.96 0.00 -0.57 0.00 0.00 179.45 178.34 2wg4 h ALA 180 N 1.87 0.66 -2.38 3.86 0.00 -1.97 -3.46 119.26 117.84 2wg4 h ALA 180 Ca 0.11 -0.56 0.11 0.00 0.00 0.00 0.00 54.91 54.58 2wg4 h ALA 180 Cb 0.29 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.05 2wg4 h ALA 180 CO -0.01 0.65 0.46 -3.38 0.00 0.00 0.00 179.25 176.97 2wg4 s HIS 181 N -3.00 -0.30 -0.00 0.00 -3.43 -1.18 -4.87 115.29 102.50 2wg4 s HIS 181 Ca 0.00 0.11 0.03 0.00 -0.80 0.00 0.00 55.06 54.40 2wg4 s HIS 181 Cb 0.08 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.77 2wg4 s HIS 181 CO 0.78 -0.66 -0.07 0.42 -2.00 0.00 0.00 174.74 173.20 2wg4 s ILE 182 N -3.24 3.60 -0.20 -5.38 -1.09 -0.72 -2.84 121.20 111.33 2wg4 s ILE 182 Ca 0.07 -0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 57.69 2wg4 s ILE 182 Cb -0.01 -2.55 -0.01 0.00 -1.58 0.00 0.00 42.46 38.30 2wg4 s ILE 182 CO -0.06 0.42 -0.05 -2.28 -1.23 0.00 0.00 174.94 171.74 2wg4 s HIS 183 N -0.97 2.95 0.15 3.97 5.65 -0.66 -0.68 115.29 125.70 2wg4 s HIS 183 Ca 0.16 -0.80 0.09 0.00 0.25 0.00 0.00 55.06 54.77 2wg4 s HIS 183 Cb -0.11 -2.06 -0.04 0.00 -1.18 0.00 0.00 32.58 29.19 2wg4 s HIS 183 CO 0.07 -0.43 -0.22 0.00 -0.65 0.00 0.00 174.74 173.51 2wg4 s SER 185 N -2.33 -0.29 0.37 0.00 1.04 -0.60 -0.06 113.70 111.84 2wg4 s SER 185 Ca 0.14 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.38 2wg4 s SER 185 Cb -0.08 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 2wg4 s SER 185 CO 0.06 -0.84 0.14 0.68 0.98 0.00 0.00 173.24 174.26 2wg4 s VAL 186 N -3.61 0.57 0.77 5.02 -7.23 0.04 -2.01 120.40 113.96 2wg4 s VAL 186 Ca 0.01 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 2wg4 s VAL 186 Cb 0.01 -2.43 0.12 0.00 0.56 0.00 0.00 36.38 34.64 2wg4 s VAL 186 CO -0.11 0.00 1.07 -0.54 -0.31 0.00 0.00 175.10 175.21 2wg4 s LYS 187 N -3.73 1.59 0.00 4.82 1.02 -1.26 -4.80 119.74 117.38 2wg4 s LYS 187 Ca 0.28 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.58 2wg4 s LYS 187 Cb 0.04 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 2wg4 s LYS 187 CO 0.16 -1.60 0.00 0.00 -0.92 0.00 0.00 175.35 172.99 2wg4 n ALA 188 N -3.07 0.00 1.68 5.17 0.00 -1.26 -4.83 120.51 118.21 2wg4 n ALA 188 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.72 2wg4 n ALA 188 Cb 0.60 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.73 2wg4 n ALA 188 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89