#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wj4 n ASP 3 N 0.00 0.63 0.29 1.09 9.92 -1.26 -1.80 116.55 125.42 2wj4 n ASP 3 Ca 0.00 0.74 0.11 0.00 -0.53 0.00 0.00 54.79 55.10 2wj4 n ASP 3 Cb 0.00 -0.84 0.57 0.00 -0.64 0.00 0.00 41.12 40.21 2wj4 n ASP 3 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2wj4 h THR 4 N 0.00 0.00 0.00 -3.53 2.02 -2.04 -2.84 112.91 106.52 2wj4 h THR 4 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wj4 h THR 4 Cb 0.14 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2wj4 h THR 4 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 2wj4 n TYR 5 N -2.61 0.00 -3.00 3.16 0.53 -0.75 -5.03 117.16 109.46 2wj4 n TYR 5 Ca -0.01 -0.26 -0.40 0.00 -1.02 0.00 0.00 57.90 56.20 2wj4 n TYR 5 Cb 0.47 -0.03 -0.05 0.00 -1.03 0.00 0.00 39.34 38.71 2wj4 n TYR 5 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 2wj4 s LEU 6 N -0.53 4.35 0.40 7.72 2.96 -1.07 -1.61 118.68 130.89 2wj4 s LEU 6 Ca 0.00 1.29 0.04 0.00 -0.22 0.00 0.00 54.13 55.24 2wj4 s LEU 6 Cb 0.00 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 2wj4 s LEU 6 CO 0.00 -0.10 0.08 -1.00 -1.32 0.00 0.00 176.35 174.01 2wj4 s HIS 7 N 0.61 1.90 0.00 5.38 3.76 0.12 -4.98 115.29 122.08 2wj4 s HIS 7 Ca 0.39 -1.09 -0.01 0.00 -0.15 0.00 0.00 55.06 54.21 2wj4 s HIS 7 Cb -0.19 -1.31 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 2wj4 s HIS 7 CO 0.20 -0.07 0.01 -2.00 -0.85 0.00 0.00 174.74 172.03 2wj4 s GLU 8 N -3.80 0.13 0.07 1.40 2.12 -1.26 -1.67 118.70 115.70 2wj4 s GLU 8 Ca 0.26 -0.20 -0.17 0.00 0.36 0.00 0.00 54.97 55.22 2wj4 s GLU 8 Cb 0.05 0.05 0.03 0.00 0.26 0.00 0.00 34.13 34.52 2wj4 s GLU 8 CO 0.13 -0.02 0.39 -0.08 -0.54 0.00 0.00 175.26 175.14 2wj4 s THR 9 N -0.53 0.07 0.04 -1.70 -1.32 -0.18 -4.97 115.64 107.05 2wj4 s THR 9 Ca -0.06 -0.55 -0.29 0.00 -1.21 0.00 0.00 61.69 59.58 2wj4 s THR 9 Cb -0.04 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 2wj4 s THR 9 CO -0.00 -0.30 0.92 -0.22 -2.21 0.00 0.00 174.62 172.81 2wj4 s LEU 10 N -2.29 4.42 -0.21 9.08 2.96 -1.26 0.43 118.68 131.80 2wj4 s LEU 10 Ca -0.02 1.64 -0.03 0.00 -0.22 0.00 0.00 54.13 55.50 2wj4 s LEU 10 Cb 0.00 -3.49 0.07 0.00 0.50 0.00 0.00 46.19 43.27 2wj4 s LEU 10 CO -0.06 -0.15 0.06 -0.69 -1.32 0.00 0.00 176.35 174.20 2wj4 s VAL 11 N 0.51 0.43 0.00 1.68 1.01 0.48 -4.91 120.40 119.60 2wj4 s VAL 11 Ca 0.47 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2wj4 s VAL 11 Cb -0.21 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2wj4 s VAL 11 CO 0.27 -0.33 0.00 0.49 0.00 0.00 0.00 175.10 175.53 2wj4 n PHE 12 N 5.07 0.00 1.08 5.22 3.72 -1.26 -0.92 117.46 130.37 2wj4 n PHE 12 Ca -0.08 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.46 2wj4 n PHE 12 Cb 0.46 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.46 2wj4 n PHE 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2wj4 n ASP 13 N 6.39 0.32 -4.23 4.37 8.00 -1.26 -4.91 116.55 125.22 2wj4 n ASP 13 Ca 0.00 -0.03 -0.24 0.00 0.71 0.00 0.00 54.79 55.22 2wj4 n ASP 13 Cb 0.00 -0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 40.87 2wj4 n ASP 13 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2wj4 s ASN 14 N -2.90 2.30 -0.28 -2.24 -0.87 -0.10 -5.09 114.94 105.77 2wj4 s ASN 14 Ca 0.16 -0.53 -0.27 0.00 -1.57 0.00 0.00 52.86 50.64 2wj4 s ASN 14 Cb 0.19 -0.17 0.01 0.00 -0.02 0.00 0.00 41.25 41.25 2wj4 s ASN 14 CO 0.59 0.12 0.96 -0.54 -2.57 0.00 0.00 177.10 175.66 2wj4 s LYS 15 N -1.28 4.12 -0.08 -0.60 1.02 -1.26 0.18 119.74 121.85 2wj4 s LYS 15 Ca 0.06 1.03 0.02 0.00 0.02 0.00 0.00 55.97 57.10 2wj4 s LYS 15 Cb -0.09 -3.69 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 2wj4 s LYS 15 CO 0.02 -0.70 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.12 2wj4 s LEU 16 N 3.22 2.89 0.48 3.17 1.43 0.17 -4.90 118.68 125.14 2wj4 s LEU 16 Ca 0.40 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 2wj4 s LEU 16 Cb -0.14 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 2wj4 s LEU 16 CO 0.10 0.30 0.87 -0.94 0.23 0.00 0.00 176.35 176.92 2wj4 s SER 17 N -0.45 6.44 -0.01 2.29 1.04 -1.26 -1.01 113.70 120.75 2wj4 s SER 17 Ca 0.06 1.25 -0.28 0.00 0.48 0.00 0.00 55.95 57.46 2wj4 s SER 17 Cb -0.12 -2.38 0.06 0.00 0.10 0.00 0.00 66.02 63.68 2wj4 s SER 17 CO 0.02 -0.56 0.62 -0.72 0.98 0.00 0.00 173.24 173.58 2wj4 s TYR 18 N -2.65 -0.58 0.05 5.02 1.13 -0.67 -1.39 117.35 118.26 2wj4 s TYR 18 Ca 0.53 0.87 -0.18 0.00 -1.41 0.00 0.00 57.07 56.88 2wj4 s TYR 18 Cb -0.10 0.40 -0.06 0.00 -1.10 0.00 0.00 41.96 41.09 2wj4 s TYR 18 CO 0.38 -0.63 0.52 0.42 -2.51 0.00 0.00 175.55 173.73 2wj4 s ILE 19 N -1.71 4.84 -0.25 -3.49 -1.09 0.68 0.13 121.20 120.31 2wj4 s ILE 19 Ca -0.09 1.11 -0.06 0.00 -2.23 0.00 0.00 60.65 59.39 2wj4 s ILE 19 Cb -0.01 -3.85 0.13 0.00 -1.58 0.00 0.00 42.46 37.15 2wj4 s ILE 19 CO 0.05 0.55 0.49 -0.62 -1.23 0.00 0.00 174.94 174.18 2wj4 s ASP 20 N -1.02 -0.51 0.00 3.58 2.15 -0.64 -1.03 116.67 119.20 2wj4 s ASP 20 Ca 0.28 0.91 0.29 0.00 0.43 0.00 0.00 52.55 54.46 2wj4 s ASP 20 Cb -0.19 1.63 1.33 0.00 -0.30 0.00 0.00 42.92 45.40 2wj4 s ASP 20 CO 0.17 -0.25 1.94 -0.46 -0.17 0.00 0.00 175.17 176.40 2wj4 n ASN 21 N 5.40 0.22 -2.35 -0.34 6.94 -1.01 -4.73 115.26 119.40 2wj4 n ASN 21 Ca -0.07 -0.29 -0.14 0.00 -0.02 0.00 0.00 54.58 54.06 2wj4 n ASN 21 Cb 0.50 -0.18 -0.01 0.00 -2.36 0.00 0.00 39.78 37.72 2wj4 n ASN 21 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wj4 n GLN 22 N -1.17 -2.07 -1.87 -3.83 6.02 -1.26 -4.85 117.38 108.35 2wj4 n GLN 22 Ca 0.13 0.67 -0.42 0.00 -0.01 0.00 0.00 57.00 57.38 2wj4 n GLN 22 Cb 0.27 -5.25 -0.03 0.00 1.02 0.00 0.00 30.24 26.24 2wj4 n GLN 22 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2wj4 s ARG 23 N -4.87 4.18 -0.55 -1.09 6.06 -1.26 -4.94 118.95 116.47 2wj4 s ARG 23 Ca 0.00 2.40 -0.25 0.00 -2.50 0.00 0.00 55.73 55.38 2wj4 s ARG 23 Cb 0.00 -3.62 0.04 0.00 0.06 0.00 0.00 34.95 31.43 2wj4 s ARG 23 CO 0.00 -0.77 0.98 0.34 -2.50 0.00 0.00 175.30 173.35 2wj4 s ASP 24 N 2.56 6.37 0.34 -2.12 2.15 -1.26 -4.46 116.67 120.26 2wj4 s ASP 24 Ca 0.76 -0.22 -0.17 0.00 0.43 0.00 0.00 52.55 53.34 2wj4 s ASP 24 Cb -0.41 -2.46 0.06 0.00 -0.30 0.00 0.00 42.92 39.81 2wj4 s ASP 24 CO 0.33 -1.25 0.83 0.28 -0.17 0.00 0.00 175.17 175.20 2wj4 s THR 25 N 4.09 0.00 0.45 1.71 -1.32 -1.26 -5.08 115.64 114.24 2wj4 s THR 25 Ca 0.33 -0.92 -0.21 0.00 -1.21 0.00 0.00 61.69 59.68 2wj4 s THR 25 Cb -0.11 -2.82 -0.10 0.00 -1.51 0.00 0.00 72.50 67.96 2wj4 s THR 25 CO 0.21 0.00 1.00 -1.81 -2.21 0.00 0.00 174.62 171.81 2wj4 s ASP 26 N -3.12 6.64 0.95 8.08 1.01 -1.26 -4.96 116.67 124.00 2wj4 s ASP 26 Ca 0.16 1.83 -0.13 0.00 0.71 0.00 0.00 52.55 55.13 2wj4 s ASP 26 Cb -0.05 -2.55 0.16 0.00 1.01 0.00 0.00 42.92 41.49 2wj4 s ASP 26 CO 0.10 -0.57 1.13 -0.83 0.21 0.00 0.00 175.17 175.20 2wj4 s GLY 27 N -2.03 1.57 0.50 0.21 0.00 -1.26 -4.76 107.32 101.55 2wj4 s GLY 27 Ca 0.64 -0.51 -0.06 0.00 0.00 0.00 0.00 44.72 44.79 2wj4 s GLY 27 CO 0.17 0.08 0.81 2.56 0.00 0.00 0.00 173.10 176.73 2wj4 s PRO 28 N -5.20 3.54 0.36 2.90 0.04 -1.26 -4.75 135.00 130.62 2wj4 s PRO 28 Ca 0.65 0.26 -0.26 0.00 0.04 0.00 0.00 61.00 61.68 2wj4 s PRO 28 Cb -0.16 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 2wj4 s PRO 28 CO 0.55 -0.25 1.07 0.00 0.04 0.00 0.00 177.00 178.41 2wj4 s ALA 29 N -2.79 3.19 -0.27 8.56 0.00 -0.99 -4.66 121.76 124.80 2wj4 s ALA 29 Ca 0.48 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 2wj4 s ALA 29 Cb -0.10 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2wj4 s ALA 29 CO 0.46 -0.22 0.29 0.42 0.00 0.00 0.00 175.76 176.71 2wj4 s ILE 30 N -1.48 5.24 -0.41 0.00 1.01 -0.03 -0.70 121.20 124.83 2wj4 s ILE 30 Ca 0.53 0.38 -0.07 0.00 0.00 0.00 0.00 60.65 61.50 2wj4 s ILE 30 Cb -0.26 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.68 2wj4 s ILE 30 CO 0.33 0.21 0.23 -0.22 0.00 0.00 0.00 174.94 175.48 2wj4 s LEU 31 N 1.88 5.09 -0.14 2.97 2.96 -0.05 -1.46 118.68 129.93 2wj4 s LEU 31 Ca 0.11 -1.62 -0.20 0.00 -0.22 0.00 0.00 54.13 52.21 2wj4 s LEU 31 Cb -0.16 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2wj4 s LEU 31 CO 0.10 -0.52 0.56 -0.76 -1.32 0.00 0.00 176.35 174.40 2wj4 s LEU 32 N 1.35 4.23 -0.27 -0.68 1.43 -0.52 -0.66 118.68 123.56 2wj4 s LEU 32 Ca 0.03 0.86 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2wj4 s LEU 32 Cb -0.23 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.22 2wj4 s LEU 32 CO 0.00 -0.11 -0.02 -0.76 0.23 0.00 0.00 176.35 175.69 2wj4 s LEU 33 N 1.10 3.50 0.75 1.79 1.43 0.10 -4.09 118.68 123.26 2wj4 s LEU 33 Ca 0.28 -0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 2wj4 s LEU 33 Cb -0.16 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.40 2wj4 s LEU 33 CO 0.12 -0.18 1.14 -2.84 0.23 0.00 0.00 176.35 174.82 2wj4 s PRO 34 N 1.34 2.17 0.00 1.29 0.02 -1.26 -1.82 135.00 136.74 2wj4 s PRO 34 Ca -0.01 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.49 2wj4 s PRO 34 Cb -0.18 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2wj4 s PRO 34 CO -0.02 -1.75 0.00 0.41 -0.33 0.00 0.00 177.00 175.30 2wj4 n GLY 35 N -0.27 -0.75 3.72 0.52 0.00 -1.22 -4.10 105.19 103.09 2wj4 n GLY 35 Ca 0.11 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 2wj4 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wj4 s TRP 36 N 0.00 3.61 -0.71 1.61 0.52 -1.26 -4.32 118.94 118.39 2wj4 s TRP 36 Ca 0.00 1.32 -0.00 0.00 0.02 0.00 0.00 56.10 57.43 2wj4 s TRP 36 Cb 0.00 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.49 2wj4 s TRP 36 CO 0.00 0.11 0.07 0.00 0.02 0.00 0.00 176.95 177.15 2wj4 s HIS 38 N -2.52 0.78 0.05 0.00 -3.43 -1.26 -4.81 115.29 104.10 2wj4 s HIS 38 Ca 0.03 -1.15 0.01 0.00 -0.80 0.00 0.00 55.06 53.15 2wj4 s HIS 38 Cb -0.01 0.22 -0.00 0.00 -1.43 0.00 0.00 32.58 31.35 2wj4 s HIS 38 CO 0.04 -1.29 0.03 -0.40 -2.00 0.00 0.00 174.74 171.12 2wj4 n ASP 39 N -1.47 0.33 -0.13 7.38 5.68 -1.26 -4.73 116.55 122.35 2wj4 n ASP 39 Ca -0.02 -1.32 0.28 0.00 -0.50 0.00 0.00 54.79 53.22 2wj4 n ASP 39 Cb 0.61 0.21 0.65 0.00 -1.14 0.00 0.00 41.12 41.45 2wj4 n ASP 39 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2wj4 h HIS 40 N 1.13 0.00 -0.84 2.11 2.07 -1.89 -2.22 115.15 115.51 2wj4 h HIS 40 Ca -0.04 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.73 2wj4 h HIS 40 Cb 0.18 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.12 2wj4 h HIS 40 CO 0.00 0.00 0.64 0.00 -3.07 0.00 0.00 177.93 175.50 2wj4 h ARG 41 N 0.00 0.00 0.00 5.12 3.08 -1.97 -0.61 114.38 120.00 2wj4 h ARG 41 Ca 0.40 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 2wj4 h ARG 41 Cb 2.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.11 2wj4 h ARG 41 CO -0.00 0.00 -0.05 -0.24 -1.07 0.00 0.00 179.97 178.61 2wj4 h VAL 42 N 0.00 0.27 -0.03 2.04 3.04 -1.81 -2.64 116.25 117.12 2wj4 h VAL 42 Ca 0.40 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 2wj4 h VAL 42 Cb 1.68 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 2wj4 h VAL 42 CO -0.00 0.04 -0.09 -1.22 -1.01 0.00 0.00 177.57 175.29 2wj4 n TYR 43 N -3.37 0.00 -0.08 3.17 0.53 -0.24 -4.36 117.16 112.81 2wj4 n TYR 43 Ca -0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 56.99 2wj4 n TYR 43 Cb 0.18 -0.00 0.51 0.00 -1.03 0.00 0.00 39.34 39.00 2wj4 n TYR 43 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 2wj4 h LYS 44 N 4.15 0.37 0.09 -0.72 2.10 -1.46 0.27 116.57 121.37 2wj4 h LYS 44 Ca 0.00 -0.02 -0.24 0.00 -2.00 0.00 0.00 60.65 58.39 2wj4 h LYS 44 Cb 0.93 -0.08 0.02 0.00 -0.90 0.00 0.00 32.23 32.20 2wj4 h LYS 44 CO 0.00 0.25 -1.00 1.88 -2.00 0.00 0.00 179.45 178.57 2wj4 h TYR 45 N 0.38 0.83 -0.76 0.07 -1.99 -1.82 -2.98 116.97 110.69 2wj4 h TYR 45 Ca 0.27 -0.52 -0.03 0.00 2.00 0.00 0.00 58.73 60.46 2wj4 h TYR 45 Cb 0.57 -0.07 -0.04 0.00 2.00 0.00 0.00 36.73 39.20 2wj4 h TYR 45 CO -0.00 1.37 0.37 1.25 -0.00 0.00 0.00 178.16 181.15 2wj4 h LEU 46 N 0.06 1.00 -0.84 3.88 5.85 -1.51 -2.45 115.31 121.30 2wj4 h LEU 46 Ca -0.15 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.46 2wj4 h LEU 46 Cb 1.71 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 2wj4 h LEU 46 CO 0.19 0.85 0.55 0.40 -0.34 0.00 0.00 178.44 180.09 2wj4 h ILE 47 N 1.08 1.17 -0.85 4.05 2.04 -1.00 -1.80 117.51 122.19 2wj4 h ILE 47 Ca 0.26 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2wj4 h ILE 47 Cb 0.11 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.13 2wj4 h ILE 47 CO -0.03 0.20 0.53 1.56 0.00 0.00 0.00 178.15 180.41 2wj4 h GLN 48 N 1.09 1.14 -0.40 2.37 4.20 -1.30 0.13 115.11 122.34 2wj4 h GLN 48 Ca 0.33 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.89 2wj4 h GLN 48 Cb -0.05 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 2wj4 h GLN 48 CO -0.10 0.78 0.01 0.93 -0.67 0.00 0.00 178.83 179.78 2wj4 h GLU 49 N 1.16 0.64 0.00 1.46 4.39 -0.91 -3.20 114.58 118.12 2wj4 h GLU 49 Ca 0.31 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2wj4 h GLU 49 Cb -0.08 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2wj4 h GLU 49 CO -0.06 0.65 -1.23 1.28 -1.16 0.00 0.00 179.01 178.49 2wj4 n LEU 50 N -4.25 0.74 -0.09 1.33 4.77 -0.77 -4.71 117.00 114.01 2wj4 n LEU 50 Ca 0.02 -0.37 -0.07 0.00 -0.03 0.00 0.00 56.01 55.56 2wj4 n LEU 50 Cb 0.26 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2wj4 n LEU 50 CO 0.40 0.18 0.93 -0.78 -1.33 0.00 0.00 177.39 176.79 2wj4 h ASP 51 N 0.00 0.11 -0.43 -1.43 3.58 -0.75 -2.37 116.42 115.13 2wj4 h ASP 51 Ca 0.00 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.53 2wj4 h ASP 51 Cb 0.62 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2wj4 h ASP 51 CO 0.00 0.10 0.29 0.00 -2.88 0.00 0.00 179.24 176.75 2wj4 h ALA 52 N 1.22 1.90 -0.00 -0.78 0.00 -1.84 -3.33 119.26 116.42 2wj4 h ALA 52 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wj4 h ALA 52 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wj4 h ALA 52 CO -0.16 0.04 -0.26 -0.25 0.00 0.00 0.00 179.25 178.61 2wj4 n ASP 53 N -4.48 0.35 -4.01 0.00 8.00 -0.92 -5.03 116.55 110.46 2wj4 n ASP 53 Ca 0.05 -0.67 -0.09 0.00 0.71 0.00 0.00 54.79 54.79 2wj4 n ASP 53 Cb 0.21 0.95 -0.11 0.00 -0.02 0.00 0.00 41.12 42.14 2wj4 n ASP 53 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wj4 s PHE 54 N -1.51 0.35 -0.11 1.24 0.08 -1.04 -4.85 117.98 112.14 2wj4 s PHE 54 Ca 0.03 -0.67 -0.30 0.00 0.12 0.00 0.00 56.93 56.11 2wj4 s PHE 54 Cb 0.05 -0.25 -0.01 0.00 -0.57 0.00 0.00 43.02 42.23 2wj4 s PHE 54 CO 0.23 -0.24 1.07 0.50 -0.10 0.00 0.00 175.22 176.68 2wj4 s ARG 55 N -2.13 4.38 -0.14 0.44 3.52 -1.26 -4.69 118.95 119.07 2wj4 s ARG 55 Ca -0.09 1.46 0.02 0.00 -0.13 0.00 0.00 55.73 56.99 2wj4 s ARG 55 Cb -0.05 -3.57 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2wj4 s ARG 55 CO -0.03 -0.40 -0.22 0.08 -0.81 0.00 0.00 175.30 173.92 2wj4 s VAL 56 N 2.25 2.08 -0.09 7.11 1.01 -1.26 -0.85 120.40 130.66 2wj4 s VAL 56 Ca 0.50 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2wj4 s VAL 56 Cb -0.19 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 2wj4 s VAL 56 CO 0.17 0.55 -0.24 -0.63 0.00 0.00 0.00 175.10 174.95 2wj4 s ILE 57 N 0.80 2.04 -0.25 2.22 -1.09 -0.53 -2.40 121.20 121.99 2wj4 s ILE 57 Ca -0.07 -1.03 -0.00 0.00 -2.23 0.00 0.00 60.65 57.32 2wj4 s ILE 57 Cb -0.16 -1.75 0.07 0.00 -1.58 0.00 0.00 42.46 39.04 2wj4 s ILE 57 CO -0.02 0.56 0.01 -0.69 -1.23 0.00 0.00 174.94 173.57 2wj4 s VAL 58 N 0.18 1.18 0.15 2.92 1.01 -0.19 -1.44 120.40 124.21 2wj4 s VAL 58 Ca -0.14 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.40 2wj4 s VAL 58 Cb -0.17 -1.63 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 2wj4 s VAL 58 CO 0.07 -0.29 0.87 -2.16 0.00 0.00 0.00 175.10 173.60 2wj4 s PRO 59 N 1.53 4.68 -0.06 2.72 0.04 -1.26 -0.23 135.00 142.42 2wj4 s PRO 59 Ca -0.00 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 2wj4 s PRO 59 Cb -0.18 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 2wj4 s PRO 59 CO -0.11 0.41 0.28 -0.80 0.04 0.00 0.00 177.00 176.83 2wj4 s ASN 60 N -0.67 6.61 0.94 6.66 0.01 -0.48 -4.53 114.94 123.48 2wj4 s ASN 60 Ca 0.41 0.73 -0.13 0.00 -0.71 0.00 0.00 52.86 53.15 2wj4 s ASN 60 Cb -0.24 -2.17 0.16 0.00 0.41 0.00 0.00 41.25 39.41 2wj4 s ASN 60 CO 0.28 0.36 1.16 0.26 -1.51 0.00 0.00 177.10 177.65 2wj4 s TRP 61 N -1.02 2.23 0.19 2.20 0.23 -1.26 -4.55 118.94 116.95 2wj4 s TRP 61 Ca 0.20 0.75 -0.32 0.00 -2.03 0.00 0.00 56.10 54.70 2wj4 s TRP 61 Cb -0.14 -3.49 -0.11 0.00 0.03 0.00 0.00 33.47 29.76 2wj4 s TRP 61 CO 0.09 -2.52 1.72 1.03 0.96 0.00 0.00 176.95 178.22 2wj4 s ARG 62 N -5.38 4.14 0.00 4.98 0.52 -1.26 -1.44 118.95 120.51 2wj4 s ARG 62 Ca 0.66 2.57 0.00 0.00 -0.52 0.00 0.00 55.73 58.44 2wj4 s ARG 62 Cb -0.13 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.18 2wj4 s ARG 62 CO 0.53 -0.75 0.00 0.41 0.02 0.00 0.00 175.30 175.52 2wj4 n GLY 63 N 3.99 1.00 3.68 -3.53 0.00 -1.26 -4.92 105.19 104.14 2wj4 n GLY 63 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2wj4 n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wj4 s HIS 64 N -3.97 3.00 -5.00 1.61 3.76 -0.52 -1.32 115.29 112.85 2wj4 s HIS 64 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 2wj4 s HIS 64 Cb 0.00 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.13 2wj4 s HIS 64 CO 0.00 0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.77 2wj4 n GLY 65 N 0.73 0.39 0.27 -2.22 0.00 -1.26 -4.53 105.19 98.57 2wj4 n GLY 65 Ca -0.11 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.27 2wj4 n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wj4 h LEU 66 N 0.00 0.00 -7.21 0.99 3.38 -1.98 -3.27 115.31 107.22 2wj4 h LEU 66 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2wj4 h LEU 66 Cb 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.34 2wj4 h LEU 66 CO 0.00 0.00 -0.65 -0.55 0.09 0.00 0.00 178.44 177.33 2wj4 s SER 67 N -6.84 4.20 0.78 -0.43 0.15 -1.26 -5.04 113.70 105.26 2wj4 s SER 67 Ca -0.05 -3.12 -0.13 0.00 0.70 0.00 0.00 55.95 53.35 2wj4 s SER 67 Cb 0.17 -1.48 0.07 0.00 -1.71 0.00 0.00 66.02 63.06 2wj4 s SER 67 CO 0.64 -0.21 1.17 -2.84 1.20 0.00 0.00 173.24 173.21 2wj4 s PRO 68 N -0.40 1.90 -0.01 5.44 0.02 -1.23 -4.82 135.00 135.89 2wj4 s PRO 68 Ca 0.19 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 2wj4 s PRO 68 Cb -0.20 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.51 2wj4 s PRO 68 CO -0.04 -1.99 0.23 -1.54 -0.33 0.00 0.00 177.00 173.33 2wj4 s SER 69 N -2.37 -0.10 0.27 2.53 1.04 -0.44 -4.99 113.70 109.64 2wj4 s SER 69 Ca 0.70 -0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.82 2wj4 s SER 69 Cb -0.26 0.28 -0.12 0.00 0.10 0.00 0.00 66.02 66.03 2wj4 s SER 69 CO 0.49 -0.38 1.61 -0.62 0.98 0.00 0.00 173.24 175.32 2wj4 n GLU 70 N 1.49 2.68 -4.18 4.02 1.02 -1.26 -4.27 120.64 120.14 2wj4 n GLU 70 Ca -0.21 0.95 -0.11 0.00 -0.02 0.00 0.00 57.16 57.77 2wj4 n GLU 70 Cb 0.56 -2.74 -0.10 0.00 -0.02 0.00 0.00 31.44 29.14 2wj4 n GLU 70 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2wj4 s VAL 71 N 0.21 0.27 0.74 2.62 -7.23 -1.26 -4.93 120.40 110.81 2wj4 s VAL 71 Ca 0.66 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.78 2wj4 s VAL 71 Cb -0.51 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.37 2wj4 s VAL 71 CO 0.46 -0.43 1.09 -2.84 -0.31 0.00 0.00 175.10 173.07 2wj4 s PRO 72 N -4.02 2.43 0.35 4.82 0.02 -1.26 -4.95 135.00 132.39 2wj4 s PRO 72 Ca 0.25 1.22 -0.29 0.00 0.02 0.00 0.00 61.00 62.21 2wj4 s PRO 72 Cb 0.07 -1.91 -0.11 0.00 0.02 0.00 0.00 34.50 32.57 2wj4 s PRO 72 CO 0.03 -1.52 1.48 -0.51 -0.33 0.00 0.00 177.00 176.16 2wj4 s ASP 73 N -3.18 6.42 0.25 2.53 1.01 -1.26 -5.01 116.67 117.43 2wj4 s ASP 73 Ca 0.63 2.96 -0.16 0.00 0.71 0.00 0.00 52.55 56.69 2wj4 s ASP 73 Cb -0.18 -2.66 0.01 0.00 1.01 0.00 0.00 42.92 41.10 2wj4 s ASP 73 CO 0.52 -0.83 0.56 0.72 0.21 0.00 0.00 175.17 176.35 2wj4 s PHE 74 N -0.83 0.14 0.00 4.23 -0.71 -1.26 -5.17 117.98 114.38 2wj4 s PHE 74 Ca 0.55 -0.53 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 2wj4 s PHE 74 Cb -0.46 0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 2wj4 s PHE 74 CO 0.58 -1.07 0.00 0.41 -1.34 0.00 0.00 175.22 173.80 2wj4 n GLY 75 N -0.40 5.14 0.14 1.99 0.00 -1.26 -4.94 105.19 105.86 2wj4 n GLY 75 Ca -0.03 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2wj4 n GLY 75 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2wj4 h TYR 76 N 0.28 0.00 -0.71 1.61 -0.00 -1.96 -1.63 116.97 114.56 2wj4 h TYR 76 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 58.75 2wj4 h TYR 76 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 36.69 2wj4 h TYR 76 CO 0.00 0.58 0.46 1.96 -0.00 0.00 0.00 178.16 181.16 2wj4 h GLN 77 N 0.00 0.88 -0.48 0.10 7.50 -1.97 -0.40 115.11 120.75 2wj4 h GLN 77 Ca -0.01 -0.05 -0.13 0.00 0.50 0.00 0.00 58.65 58.96 2wj4 h GLN 77 Cb 1.13 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 28.45 2wj4 h GLN 77 CO 0.08 0.58 -0.21 0.93 -1.50 0.00 0.00 178.83 178.71 2wj4 h GLU 78 N 0.91 0.98 -0.60 1.46 3.07 -1.87 -2.75 114.58 115.77 2wj4 h GLU 78 Ca 0.27 -0.42 0.07 0.00 -0.50 0.00 0.00 59.36 58.78 2wj4 h GLU 78 Cb -0.04 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.78 2wj4 h GLU 78 CO -0.09 1.10 0.28 1.96 -1.40 0.00 0.00 179.01 180.86 2wj4 h GLN 79 N 0.84 0.50 -0.47 2.33 4.20 -1.04 -0.61 115.11 120.86 2wj4 h GLN 79 Ca 0.11 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.86 2wj4 h GLN 79 Cb 0.79 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 2wj4 h GLN 79 CO 0.07 0.33 0.13 0.28 -0.67 0.00 0.00 178.83 178.97 2wj4 h VAL 80 N 0.51 0.80 -0.52 -0.54 2.07 -0.93 -0.69 116.25 116.95 2wj4 h VAL 80 Ca 0.29 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.61 2wj4 h VAL 80 Cb 0.27 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2wj4 h VAL 80 CO -0.23 0.05 -0.05 0.11 0.02 0.00 0.00 177.57 177.47 2wj4 h LYS 81 N 0.28 0.95 -0.29 1.57 1.57 -1.17 -0.40 116.57 119.08 2wj4 h LYS 81 Ca 0.23 -0.33 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2wj4 h LYS 81 Cb 0.26 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2wj4 h LYS 81 CO -0.26 0.99 0.01 -0.44 -0.57 0.00 0.00 179.45 179.17 2wj4 h ASP 82 N 0.81 -0.10 -0.30 0.86 3.32 -0.94 0.18 116.42 120.25 2wj4 h ASP 82 Ca 0.14 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 2wj4 h ASP 82 Cb 0.59 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2wj4 h ASP 82 CO 0.04 -0.02 0.12 0.00 -1.72 0.00 0.00 179.24 177.66 2wj4 h ALA 83 N 1.24 0.39 -0.76 3.45 0.00 -0.56 -0.26 119.26 122.78 2wj4 h ALA 83 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2wj4 h ALA 83 Cb 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2wj4 h ALA 83 CO -0.23 -0.01 0.32 -0.07 0.00 0.00 0.00 179.25 179.26 2wj4 h LEU 84 N 0.34 1.02 -0.81 0.00 3.38 -0.85 -1.61 115.31 116.77 2wj4 h LEU 84 Ca 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2wj4 h LEU 84 Cb 0.18 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2wj4 h LEU 84 CO -0.01 0.90 0.44 -0.08 0.09 0.00 0.00 178.44 179.77 2wj4 h GLU 85 N 1.09 1.13 -0.55 1.13 4.57 0.13 0.11 114.58 122.20 2wj4 h GLU 85 Ca 0.25 -0.14 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 2wj4 h GLU 85 Cb 0.18 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2wj4 h GLU 85 CO -0.02 0.84 0.06 0.82 -1.18 0.00 0.00 179.01 179.52 2wj4 h ILE 86 N 1.12 1.25 -0.58 2.32 2.04 -0.74 -0.93 117.51 121.99 2wj4 h ILE 86 Ca 0.28 -0.98 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 2wj4 h ILE 86 Cb 0.04 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2wj4 h ILE 86 CO -0.04 0.36 -0.02 -0.07 0.00 0.00 0.00 178.15 178.37 2wj4 h LEU 87 N 0.84 1.01 0.20 1.44 3.38 -0.72 -1.14 115.31 120.32 2wj4 h LEU 87 Ca 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2wj4 h LEU 87 Cb 0.42 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wj4 h LEU 87 CO 0.01 1.07 -0.10 0.44 0.09 0.00 0.00 178.44 179.96 2wj4 h ASP 88 N 0.94 -0.23 -0.70 -0.43 3.32 -0.53 0.54 116.42 119.33 2wj4 h ASP 88 Ca 0.16 -0.16 0.17 0.00 0.02 0.00 0.00 57.03 57.22 2wj4 h ASP 88 Cb 0.57 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 2wj4 h ASP 88 CO 0.03 0.04 0.49 1.56 -1.72 0.00 0.00 179.24 179.64 2wj4 h GLN 89 N -0.50 0.18 -0.01 3.56 4.20 -1.12 0.10 115.11 121.52 2wj4 h GLN 89 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2wj4 h GLN 89 Cb 0.38 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2wj4 h GLN 89 CO 0.05 0.12 -0.23 1.28 -0.67 0.00 0.00 178.83 179.37 2wj4 n LEU 90 N -4.41 0.94 -0.90 1.46 4.77 -0.44 -4.94 117.00 113.49 2wj4 n LEU 90 Ca 0.14 -0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 2wj4 n LEU 90 Cb 0.65 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2wj4 n LEU 90 CO 0.35 0.18 -0.11 0.61 -1.33 0.00 0.00 177.39 177.09 2wj4 n GLY 91 N 1.33 1.10 3.69 -0.72 0.00 0.02 -4.99 105.19 105.62 2wj4 n GLY 91 Ca 0.13 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2wj4 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wj4 s VAL 92 N -2.43 4.60 0.00 1.61 1.01 0.08 -4.97 120.40 120.30 2wj4 s VAL 92 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 61.98 63.87 2wj4 s VAL 92 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2wj4 s VAL 92 CO 0.00 0.01 0.00 -0.62 0.00 0.00 0.00 175.10 174.49 2wj4 n GLU 93 N 5.00 0.00 -3.09 2.72 1.02 -1.26 -4.64 120.64 120.39 2wj4 n GLU 93 Ca 0.09 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.84 2wj4 n GLU 93 Cb 0.48 -0.12 -0.06 0.00 -0.02 0.00 0.00 31.44 31.73 2wj4 n GLU 93 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2wj4 s THR 94 N 0.00 4.71 0.03 2.62 2.01 -1.26 -4.85 115.64 118.90 2wj4 s THR 94 Ca 0.00 1.48 -0.07 0.00 0.31 0.00 0.00 61.69 63.41 2wj4 s THR 94 Cb 0.00 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2wj4 s THR 94 CO 0.00 0.44 0.13 0.72 -0.69 0.00 0.00 174.62 175.22 2wj4 s PHE 95 N -0.47 0.14 -0.34 4.92 -0.12 -0.33 -2.33 117.98 119.45 2wj4 s PHE 95 Ca 0.34 -0.40 -0.07 0.00 -0.05 0.00 0.00 56.93 56.76 2wj4 s PHE 95 Cb -0.20 -0.10 0.04 0.00 -0.63 0.00 0.00 43.02 42.12 2wj4 s PHE 95 CO 0.21 -0.37 0.11 -1.17 -0.05 0.00 0.00 175.22 173.95 2wj4 s LEU 96 N -2.02 4.28 0.20 -1.99 2.96 0.12 -4.26 118.68 117.97 2wj4 s LEU 96 Ca -0.06 -1.09 -0.27 0.00 -0.22 0.00 0.00 54.13 52.48 2wj4 s LEU 96 Cb -0.02 -1.88 -0.08 0.00 0.50 0.00 0.00 46.19 44.71 2wj4 s LEU 96 CO -0.04 -0.31 0.85 -2.16 -1.32 0.00 0.00 176.35 173.37 2wj4 s PRO 97 N 1.42 4.69 -0.12 0.98 0.04 -1.26 -0.87 135.00 139.88 2wj4 s PRO 97 Ca -0.01 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2wj4 s PRO 97 Cb -0.19 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.11 2wj4 s PRO 97 CO 0.03 0.55 -0.10 0.08 0.04 0.00 0.00 177.00 177.60 2wj4 s VAL 98 N -1.17 1.18 0.27 -0.36 1.01 0.17 -1.93 120.40 119.57 2wj4 s VAL 98 Ca 0.38 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.05 2wj4 s VAL 98 Cb -0.24 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2wj4 s VAL 98 CO 0.29 0.39 0.08 -0.94 0.00 0.00 0.00 175.10 174.92 2wj4 s SER 99 N 1.54 4.87 -0.11 3.32 1.04 -0.21 0.03 113.70 124.17 2wj4 s SER 99 Ca 0.03 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.94 2wj4 s SER 99 Cb -0.13 -1.00 -0.01 0.00 0.10 0.00 0.00 66.02 64.98 2wj4 s SER 99 CO -0.08 -0.05 -0.17 -2.28 0.98 0.00 0.00 173.24 171.64 2wj4 s HIS 100 N -2.28 2.71 0.00 5.02 2.46 -0.76 -0.76 115.29 121.69 2wj4 s HIS 100 Ca 0.33 -0.75 0.00 0.00 0.47 0.00 0.00 55.06 55.10 2wj4 s HIS 100 Cb -0.06 -1.78 0.00 0.00 -0.13 0.00 0.00 32.58 30.61 2wj4 s HIS 100 CO 0.22 -0.26 0.00 0.45 -2.47 0.00 0.00 174.74 172.68 2wj4 n SER 101 N 3.44 0.00 0.00 9.88 2.88 0.05 -1.08 113.62 128.79 2wj4 n SER 101 Ca -0.18 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.42 2wj4 n SER 101 Cb 0.53 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.38 2wj4 n SER 101 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2wj4 n HIS 102 N 14.00 0.00 0.09 0.66 -0.00 -1.26 -0.89 115.22 127.82 2wj4 n HIS 102 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 2wj4 n HIS 102 Cb 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 29.99 30.29 2wj4 n HIS 102 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wj4 n GLY 103 N 0.12 -0.68 0.16 -1.41 0.00 -0.24 -2.91 105.19 100.24 2wj4 n GLY 103 Ca 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 2wj4 n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wj4 h GLY 104 N 0.00 0.19 0.74 -0.02 0.00 -1.19 -1.45 103.07 101.34 2wj4 h GLY 104 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.17 2wj4 h GLY 104 CO 0.00 0.21 0.62 1.49 0.00 0.00 0.00 176.54 178.86 2wj4 h TRP 105 N 0.13 1.13 -0.03 5.60 4.06 -1.79 -0.39 115.95 124.66 2wj4 h TRP 105 Ca -0.00 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 2wj4 h TRP 105 Cb 1.06 -0.37 -0.00 0.00 -1.00 0.00 0.00 29.16 28.85 2wj4 h TRP 105 CO 0.02 0.56 0.01 0.28 -3.56 0.00 0.00 178.44 175.75 2wj4 h VAL 106 N 1.08 1.18 -0.60 1.49 2.07 -1.67 -2.58 116.25 117.21 2wj4 h VAL 106 Ca 0.43 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2wj4 h VAL 106 Cb 0.24 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2wj4 h VAL 106 CO -0.18 0.14 0.36 0.25 0.02 0.00 0.00 177.57 178.16 2wj4 h LEU 107 N -0.16 0.57 -0.32 2.57 6.46 -0.40 0.25 115.31 124.27 2wj4 h LEU 107 Ca 0.01 0.01 -0.20 0.00 -0.12 0.00 0.00 57.88 57.58 2wj4 h LEU 107 Cb 0.22 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2wj4 h LEU 107 CO -0.00 0.39 -0.74 0.58 -0.62 0.00 0.00 178.44 178.06 2wj4 h VAL 108 N 0.70 1.34 -0.43 1.05 2.07 -1.14 -1.00 116.25 118.82 2wj4 h VAL 108 Ca 0.25 -2.06 -0.13 0.00 0.82 0.00 0.00 66.70 65.58 2wj4 h VAL 108 Cb 0.06 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2wj4 h VAL 108 CO -0.12 0.63 -0.24 -0.08 0.02 0.00 0.00 177.57 177.79 2wj4 h GLU 109 N 0.38 0.89 -0.44 1.57 4.57 -1.25 -2.49 114.58 117.81 2wj4 h GLU 109 Ca -0.04 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.73 2wj4 h GLU 109 Cb 1.33 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 2wj4 h GLU 109 CO 0.14 1.03 0.13 1.25 -1.18 0.00 0.00 179.01 180.38 2wj4 h LEU 110 N 0.77 0.59 -0.31 1.64 5.85 -0.37 0.54 115.31 124.02 2wj4 h LEU 110 Ca 0.10 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2wj4 h LEU 110 Cb 0.79 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2wj4 h LEU 110 CO 0.07 0.57 0.10 -0.07 -0.34 0.00 0.00 178.44 178.77 2wj4 h LEU 111 N 0.63 0.44 0.15 2.25 3.38 -1.04 0.11 115.31 121.24 2wj4 h LEU 111 Ca 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2wj4 h LEU 111 Cb 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2wj4 h LEU 111 CO -0.01 0.52 -0.08 -0.08 0.09 0.00 0.00 178.44 178.88 2wj4 h GLU 112 N 0.34 -0.21 -0.09 1.13 4.57 -0.93 -1.12 114.58 118.28 2wj4 h GLU 112 Ca 0.10 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2wj4 h GLU 112 Cb 0.23 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 2wj4 h GLU 112 CO -0.00 -0.14 -0.04 0.37 -1.18 0.00 0.00 179.01 178.02 2wj4 h GLN 113 N -0.21 0.19 0.00 1.92 5.75 -0.89 -3.03 115.11 118.84 2wj4 h GLN 113 Ca -0.02 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.31 2wj4 h GLN 113 Cb 0.17 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2wj4 h GLN 113 CO 0.03 0.54 -0.42 0.00 -2.65 0.00 0.00 178.83 176.33 2wj4 h ALA 114 N 0.64 0.88 -0.75 3.38 0.00 -0.86 -3.50 119.26 119.05 2wj4 h ALA 114 Ca 0.02 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2wj4 h ALA 114 Cb 0.48 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2wj4 h ALA 114 CO 0.01 0.53 -0.24 0.41 0.00 0.00 0.00 179.25 179.96 2wj4 n GLY 115 N 0.56 -2.47 0.12 0.00 0.00 -0.42 -4.20 105.19 98.79 2wj4 n GLY 115 Ca 0.00 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.76 2wj4 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wj4 n PRO 116 N -2.69 0.21 0.11 1.61 -0.04 -1.26 -0.97 135.00 131.96 2wj4 n PRO 116 Ca -0.02 0.36 -0.23 0.00 -0.04 0.00 0.00 63.50 63.57 2wj4 n PRO 116 Cb 0.15 -1.84 -0.14 0.00 -0.04 0.00 0.00 33.50 31.63 2wj4 n PRO 116 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wj4 h GLU 117 N 0.00 0.60 0.19 0.54 5.08 -1.96 -3.04 114.58 116.00 2wj4 h GLU 117 Ca 0.00 -0.86 -0.32 0.00 -1.00 0.00 0.00 59.36 57.18 2wj4 h GLU 117 Cb 0.47 0.30 0.02 0.00 0.50 0.00 0.00 28.75 30.03 2wj4 h GLU 117 CO 0.00 1.40 -1.54 -0.09 -1.00 0.00 0.00 179.01 177.78 2wj4 h ARG 118 N 0.23 0.41 -2.45 2.33 2.43 -1.71 -3.42 114.38 112.20 2wj4 h ARG 118 Ca -0.21 -0.69 -0.60 0.00 -0.81 0.00 0.00 59.98 57.67 2wj4 h ARG 118 Cb 1.98 0.26 -0.41 0.00 -0.42 0.00 0.00 29.97 31.38 2wj4 h ARG 118 CO 0.25 1.33 -0.73 0.00 -1.51 0.00 0.00 179.97 179.31 2wj4 n ALA 119 N -2.83 3.41 0.87 2.80 0.00 -0.14 -1.19 120.51 123.43 2wj4 n ALA 119 Ca -0.22 -4.21 0.13 0.00 0.00 0.00 0.00 53.44 49.14 2wj4 n ALA 119 Cb 1.03 -0.90 0.55 0.00 0.00 0.00 0.00 19.45 20.13 2wj4 n ALA 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wj4 n PRO 120 N 1.57 0.08 -3.89 0.00 -0.04 -1.15 -4.29 135.00 127.28 2wj4 n PRO 120 Ca 0.25 0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 2wj4 n PRO 120 Cb 0.42 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 2wj4 n PRO 120 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wj4 s ARG 121 N -3.03 1.45 0.01 0.54 0.52 -1.26 -4.17 118.95 113.00 2wj4 s ARG 121 Ca 0.13 -1.09 -0.13 0.00 -0.52 0.00 0.00 55.73 54.12 2wj4 s ARG 121 Cb 0.17 0.49 0.02 0.00 0.52 0.00 0.00 34.95 36.14 2wj4 s ARG 121 CO 0.54 -0.61 0.29 0.20 0.02 0.00 0.00 175.30 175.74 2wj4 s GLY 122 N -2.95 -0.11 -0.13 -3.53 0.00 -0.80 -4.19 107.32 95.60 2wj4 s GLY 122 Ca 0.16 0.14 0.02 0.00 0.00 0.00 0.00 44.72 45.04 2wj4 s GLY 122 CO 0.03 -0.07 -0.18 -0.42 0.00 0.00 0.00 173.10 172.47 2wj4 s ILE 123 N -1.83 1.77 -0.14 0.90 1.01 -0.81 -2.44 121.20 119.65 2wj4 s ILE 123 Ca -0.10 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 2wj4 s ILE 123 Cb -0.04 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 2wj4 s ILE 123 CO 0.01 0.49 -0.04 0.27 0.00 0.00 0.00 174.94 175.67 2wj4 s ILE 124 N 0.96 3.84 -0.09 2.92 -4.36 -0.80 -1.05 121.20 122.61 2wj4 s ILE 124 Ca -0.06 -0.38 0.00 0.00 -0.26 0.00 0.00 60.65 59.95 2wj4 s ILE 124 Cb -0.15 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.87 2wj4 s ILE 124 CO -0.03 0.51 -0.08 -0.04 0.24 0.00 0.00 174.94 175.54 2wj4 s MET 125 N 0.20 3.00 -0.70 0.37 -1.94 0.06 -1.29 119.30 119.01 2wj4 s MET 125 Ca -0.03 -0.58 -0.08 0.00 -1.71 0.00 0.00 55.69 53.29 2wj4 s MET 125 Cb -0.14 -2.64 0.01 0.00 2.01 0.00 0.00 34.83 34.07 2wj4 s MET 125 CO 0.03 0.51 0.46 -3.47 -0.01 0.00 0.00 175.02 172.54 2wj4 n ASP 126 N 2.69 -3.36 -4.02 3.03 -0.08 -0.25 -0.77 116.55 113.79 2wj4 n ASP 126 Ca -0.18 -0.81 -0.30 0.00 -1.51 0.00 0.00 54.79 52.00 2wj4 n ASP 126 Cb 0.53 -1.17 -0.17 0.00 2.34 0.00 0.00 41.12 42.65 2wj4 n ASP 126 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2wj4 s TRP 127 N -3.10 2.11 -0.56 -0.67 -0.00 -1.26 -3.83 118.94 111.63 2wj4 s TRP 127 Ca 0.12 -1.16 -0.29 0.00 -0.00 0.00 0.00 56.10 54.77 2wj4 s TRP 127 Cb -0.06 -1.56 -0.11 0.00 -0.00 0.00 0.00 33.47 31.74 2wj4 s TRP 127 CO 0.68 -0.64 2.43 1.28 -0.00 0.00 0.00 176.95 180.70 2wj4 n LEU 128 N 4.71 1.93 0.19 5.86 4.77 -1.26 -4.82 117.00 128.39 2wj4 n LEU 128 Ca -0.17 -0.17 0.07 0.00 -0.03 0.00 0.00 56.01 55.71 2wj4 n LEU 128 Cb 0.50 -1.39 0.29 0.00 -2.33 0.00 0.00 43.42 40.49 2wj4 n LEU 128 CO 0.22 -1.19 0.68 0.24 -1.33 0.00 0.00 177.39 176.00 2wj4 h MET 129 N 16.54 0.00 -6.22 3.23 2.86 -1.97 -3.41 114.93 125.95 2wj4 h MET 129 Ca -0.22 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 56.95 2wj4 h MET 129 Cb 1.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 2wj4 h MET 129 CO 1.17 0.33 -0.43 1.67 1.06 0.00 0.00 176.91 180.70 2wj4 s TRP 130 N -3.41 3.27 0.70 -0.22 -2.14 -1.26 -4.09 118.94 111.79 2wj4 s TRP 130 Ca 0.02 -0.10 -0.16 0.00 2.66 0.00 0.00 56.10 58.52 2wj4 s TRP 130 Cb 0.09 -1.63 0.02 0.00 -3.10 0.00 0.00 33.47 28.85 2wj4 s TRP 130 CO 0.68 0.35 1.25 0.00 -2.66 0.00 0.00 176.95 176.57 2wj4 s ALA 131 N -2.07 2.19 0.06 2.67 0.00 -1.26 -4.77 121.76 118.58 2wj4 s ALA 131 Ca 0.36 1.05 -0.35 0.00 0.00 0.00 0.00 51.96 53.02 2wj4 s ALA 131 Cb -0.09 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 19.38 2wj4 s ALA 131 CO 0.28 -1.82 1.63 -2.30 0.00 0.00 0.00 175.76 173.56 2wj4 n PRO 132 N -2.42 1.98 -1.49 0.00 -0.02 -1.26 -4.98 135.00 126.81 2wj4 n PRO 132 Ca 0.15 0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 62.05 2wj4 n PRO 132 Cb 0.49 -2.48 0.12 0.00 -0.02 0.00 0.00 33.50 31.60 2wj4 n PRO 132 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wj4 s LYS 133 N 1.81 1.54 0.40 -0.52 -0.14 -1.26 -4.73 119.74 116.84 2wj4 s LYS 133 Ca 0.84 0.52 0.08 0.00 -1.36 0.00 0.00 55.97 56.05 2wj4 s LYS 133 Cb -0.74 -1.87 0.85 0.00 -1.68 0.00 0.00 37.83 34.39 2wj4 s LYS 133 CO 0.44 -1.97 2.02 -1.35 -0.76 0.00 0.00 175.35 173.73 2wj4 h PRO 134 N -1.34 0.58 -0.11 -1.68 0.11 -1.98 0.14 132.00 127.72 2wj4 h PRO 134 Ca -0.49 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 2wj4 h PRO 134 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2wj4 h PRO 134 CO 0.60 0.38 -0.21 -0.44 -0.21 0.00 0.00 178.00 178.12 2wj4 h ASP 135 N 0.59 0.37 -0.45 -2.05 5.19 -1.99 -0.55 116.42 117.54 2wj4 h ASP 135 Ca 0.21 -0.55 -0.13 0.00 -0.62 0.00 0.00 57.03 55.93 2wj4 h ASP 135 Cb 0.11 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2wj4 h ASP 135 CO -0.06 0.85 -0.23 0.15 -3.12 0.00 0.00 179.24 176.84 2wj4 h PHE 136 N -0.10 1.11 -0.35 4.55 3.57 -1.85 -1.01 116.94 122.86 2wj4 h PHE 136 Ca 0.00 -0.27 0.04 0.00 3.53 0.00 0.00 57.97 61.28 2wj4 h PHE 136 Cb 0.79 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 2wj4 h PHE 136 CO 0.11 1.09 0.10 0.00 -2.23 0.00 0.00 178.31 177.38 2wj4 h ALA 137 N 0.89 0.39 -0.68 2.41 0.00 -0.73 -2.14 119.26 119.40 2wj4 h ALA 137 Ca 0.10 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2wj4 h ALA 137 Cb 0.81 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2wj4 h ALA 137 CO 0.07 -0.30 0.37 -0.22 0.00 0.00 0.00 179.25 179.17 2wj4 h LYS 138 N 0.24 0.64 -0.47 0.00 1.63 -0.74 -2.08 116.57 115.79 2wj4 h LYS 138 Ca 0.16 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.99 2wj4 h LYS 138 Cb 0.15 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.58 2wj4 h LYS 138 CO -0.18 0.43 0.12 0.77 -3.45 0.00 0.00 179.45 177.14 2wj4 h SER 139 N 0.66 0.07 -0.84 4.20 0.02 -0.91 -1.52 113.55 115.23 2wj4 h SER 139 Ca 0.32 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 2wj4 h SER 139 Cb 0.24 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 2wj4 h SER 139 CO -0.21 0.07 0.49 -0.07 -1.14 0.00 0.00 176.83 175.97 2wj4 h LEU 140 N 0.27 1.03 -1.15 5.07 3.38 -0.74 -0.91 115.31 122.26 2wj4 h LEU 140 Ca 0.23 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2wj4 h LEU 140 Cb 0.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wj4 h LEU 140 CO -0.28 0.82 -0.09 0.71 0.09 0.00 0.00 178.44 179.69 2wj4 h THR 141 N 1.17 1.22 -0.27 0.22 1.35 -1.00 -1.91 112.91 113.68 2wj4 h THR 141 Ca 0.30 -0.94 -0.09 0.00 -0.55 0.00 0.00 66.41 65.13 2wj4 h THR 141 Cb -0.01 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 2wj4 h THR 141 CO -0.05 0.31 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.26 2wj4 h LEU 142 N 0.45 0.64 -1.46 3.87 4.07 -0.79 -3.13 115.31 118.96 2wj4 h LEU 142 Ca 0.09 -0.44 0.02 0.00 0.08 0.00 0.00 57.88 57.63 2wj4 h LEU 142 Cb 0.44 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 2wj4 h LEU 142 CO 0.02 0.95 0.38 -0.07 -1.08 0.00 0.00 178.44 178.64 2wj4 h LEU 143 N 0.34 0.62 -0.15 1.67 3.38 -0.77 -2.03 115.31 118.38 2wj4 h LEU 143 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wj4 h LEU 143 Cb 0.73 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2wj4 h LEU 143 CO 0.05 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.31 2wj4 n LYS 144 N -4.46 0.09 -3.25 1.13 5.02 -0.76 -3.25 118.16 112.68 2wj4 n LYS 144 Ca 0.06 0.21 -0.41 0.00 -2.02 0.00 0.00 58.31 56.16 2wj4 n LYS 144 Cb 0.08 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 33.38 2wj4 n LYS 144 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wj4 s ASP 145 N -3.53 6.36 0.61 4.39 -1.08 -0.78 -4.94 116.67 117.70 2wj4 s ASP 145 Ca 0.09 0.22 0.40 0.00 -0.52 0.00 0.00 52.55 52.74 2wj4 s ASP 145 Cb 0.12 -2.27 1.96 0.00 -1.46 0.00 0.00 42.92 41.27 2wj4 s ASP 145 CO 0.42 -0.38 2.20 1.55 0.52 0.00 0.00 175.17 179.48 2wj4 h PRO 146 N 8.26 0.00 0.00 4.34 0.13 -1.85 0.78 132.00 143.67 2wj4 h PRO 146 Ca -0.29 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.66 2wj4 h PRO 146 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2wj4 h PRO 146 CO 0.74 0.00 -1.29 0.93 -0.23 0.00 0.00 178.00 178.15 2wj4 h GLU 147 N 0.00 0.00 0.00 0.86 4.39 -1.92 -3.41 114.58 114.51 2wj4 h GLU 147 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wj4 h GLU 147 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2wj4 h GLU 147 CO 0.00 0.42 -0.10 0.54 -1.16 0.00 0.00 179.01 178.70 2wj4 n ARG 148 N -3.01 1.18 -0.12 2.33 1.74 -0.32 -4.79 116.66 113.67 2wj4 n ARG 148 Ca -0.08 -2.04 -0.07 0.00 -0.77 0.00 0.00 57.85 54.89 2wj4 n ARG 148 Cb 0.87 -1.19 0.10 0.00 -1.02 0.00 0.00 32.46 31.22 2wj4 n ARG 148 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2wj4 h TRP 149 N 0.00 0.93 -0.43 -1.55 5.08 -0.67 -1.25 115.95 118.06 2wj4 h TRP 149 Ca 0.00 -0.17 -0.15 0.00 1.08 0.00 0.00 58.89 59.65 2wj4 h TRP 149 Cb 1.02 -0.24 -0.01 0.00 -3.00 0.00 0.00 29.16 26.93 2wj4 h TRP 149 CO 0.02 0.89 -0.31 -0.09 -1.28 0.00 0.00 178.44 177.68 2wj4 h ARG 150 N 0.77 0.97 -0.71 0.12 2.43 -1.86 -1.10 114.38 114.99 2wj4 h ARG 150 Ca 0.13 -0.46 0.05 0.00 -0.81 0.00 0.00 59.98 58.88 2wj4 h ARG 150 Cb 0.59 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 2wj4 h ARG 150 CO 0.04 1.13 0.47 1.49 -1.51 0.00 0.00 179.97 181.59 2wj4 h GLU 151 N 0.81 0.78 0.13 0.20 4.81 -1.87 -1.46 114.58 117.98 2wj4 h GLU 151 Ca 0.09 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2wj4 h GLU 151 Cb 0.89 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2wj4 h GLU 151 CO 0.08 0.52 -0.17 0.78 -0.73 0.00 0.00 179.01 179.50 2wj4 h GLY 152 N 0.81 -0.32 1.44 1.92 0.00 -0.22 -2.54 103.07 104.15 2wj4 h GLY 152 Ca 0.29 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.79 2wj4 h GLY 152 CO -0.09 -0.16 0.20 -0.91 0.00 0.00 0.00 176.54 175.58 2wj4 h THR 153 N -0.34 1.19 -0.29 4.70 1.35 -0.89 -2.41 112.91 116.22 2wj4 h THR 153 Ca 0.01 -0.58 -0.18 0.00 -0.55 0.00 0.00 66.41 65.11 2wj4 h THR 153 Cb 0.34 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2wj4 h THR 153 CO -0.07 0.23 -0.52 0.45 -0.25 0.00 0.00 175.52 175.36 2wj4 h HIS 154 N 0.72 1.08 -0.75 4.73 -0.00 -1.24 0.48 115.15 120.16 2wj4 h HIS 154 Ca 0.17 -0.38 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 2wj4 h HIS 154 Cb 0.15 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.32 2wj4 h HIS 154 CO 0.01 1.21 0.48 0.78 -0.00 0.00 0.00 177.93 180.40 2wj4 h GLY 155 N 0.64 1.08 0.78 2.45 0.00 -1.37 -1.23 103.07 105.42 2wj4 h GLY 155 Ca 0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 2wj4 h GLY 155 CO 0.12 0.41 -0.18 1.41 0.00 0.00 0.00 176.54 178.30 2wj4 h LEU 156 N 1.03 0.45 -0.88 3.11 3.38 -1.31 -2.57 115.31 118.52 2wj4 h LEU 156 Ca 0.27 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.84 2wj4 h LEU 156 Cb -0.08 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 2wj4 h LEU 156 CO -0.06 0.84 0.53 -0.26 0.09 0.00 0.00 178.44 179.59 2wj4 h PHE 157 N 0.06 0.96 -0.36 1.13 0.04 -0.57 -0.53 116.94 117.67 2wj4 h PHE 157 Ca 0.02 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.88 2wj4 h PHE 157 Cb 0.73 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 2wj4 h PHE 157 CO 0.08 0.42 0.07 -0.44 -0.60 0.00 0.00 178.31 177.84 2wj4 h ASP 158 N 0.90 0.00 -0.72 2.17 3.32 -1.16 -2.00 116.42 118.93 2wj4 h ASP 158 Ca 0.41 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.49 2wj4 h ASP 158 Cb 0.33 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2wj4 h ASP 158 CO -0.23 0.04 0.33 0.58 -1.72 0.00 0.00 179.24 178.24 2wj4 h VAL 159 N 0.19 1.24 -0.01 -1.35 2.07 -0.95 -2.22 116.25 115.22 2wj4 h VAL 159 Ca 0.17 -0.69 -0.17 0.00 0.82 0.00 0.00 66.70 66.83 2wj4 h VAL 159 Cb 0.20 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2wj4 h VAL 159 CO -0.23 0.29 -0.76 -0.50 0.02 0.00 0.00 177.57 176.39 2wj4 h TRP 160 N 1.01 0.12 0.00 1.57 6.55 -0.83 -2.94 115.95 121.44 2wj4 h TRP 160 Ca 0.25 -0.06 -0.19 0.00 0.95 0.00 0.00 58.89 59.83 2wj4 h TRP 160 Cb 0.14 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 28.40 2wj4 h TRP 160 CO 0.01 0.81 -0.95 -0.07 -1.05 0.00 0.00 178.44 177.19 2wj4 h LEU 161 N 0.05 0.00 -1.05 -4.49 3.38 -1.31 -1.76 115.31 110.12 2wj4 h LEU 161 Ca -0.02 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.47 2wj4 h LEU 161 Cb 1.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 2wj4 h LEU 161 CO 0.11 0.90 -0.77 -0.67 0.09 0.00 0.00 178.44 178.10 2wj4 n ASP 162 N -3.31 -4.38 0.00 -0.43 2.03 -0.84 -1.69 116.55 107.93 2wj4 n ASP 162 Ca -0.01 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.49 2wj4 n ASP 162 Cb 0.91 -3.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 2wj4 n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wj4 n GLY 163 N -1.66 0.66 3.80 0.27 0.00 -1.26 -5.04 105.19 101.95 2wj4 n GLY 163 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2wj4 n GLY 163 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wj4 s HIS 164 N -2.10 3.49 -1.48 1.61 3.76 -0.68 -5.00 115.29 114.89 2wj4 s HIS 164 Ca 0.00 0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 55.23 2wj4 s HIS 164 Cb 0.00 -2.07 0.02 0.00 1.11 0.00 0.00 32.58 31.64 2wj4 s HIS 164 CO 0.00 0.48 2.48 -3.47 -0.85 0.00 0.00 174.74 173.39 2wj4 n ASP 165 N 2.85 6.51 -4.38 1.40 2.03 -1.26 -4.92 116.55 118.78 2wj4 n ASP 165 Ca -0.18 -2.82 -0.45 0.00 0.52 0.00 0.00 54.79 51.86 2wj4 n ASP 165 Cb 0.53 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.35 2wj4 n ASP 165 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2wj4 s GLU 166 N 1.77 3.35 0.27 -0.67 2.56 -1.26 -4.93 118.70 119.79 2wj4 s GLU 166 Ca 0.56 -1.78 0.01 0.00 0.00 0.00 0.00 54.97 53.75 2wj4 s GLU 166 Cb 0.16 -4.49 0.59 0.00 2.00 0.00 0.00 34.13 32.39 2wj4 s GLU 166 CO -0.07 -1.53 1.75 -0.22 -0.56 0.00 0.00 175.26 174.63 2wj4 h LYS 167 N 8.68 0.55 -0.20 4.30 3.64 -1.99 -0.07 116.57 131.48 2wj4 h LYS 167 Ca -0.06 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 2wj4 h LYS 167 Cb 1.06 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2wj4 h LYS 167 CO 1.00 0.37 -0.55 0.00 -2.27 0.00 0.00 179.45 177.99 2wj4 h ARG 168 N 0.57 0.61 0.17 1.90 3.08 -1.97 -2.38 114.38 116.36 2wj4 h ARG 168 Ca 0.49 -0.39 -0.30 0.00 0.07 0.00 0.00 59.98 59.86 2wj4 h ARG 168 Cb 0.77 0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.89 2wj4 h ARG 168 CO -0.41 1.00 -1.32 0.28 -1.07 0.00 0.00 179.97 178.45 2wj4 h VAL 169 N 0.47 1.36 -0.80 2.04 2.07 -1.65 -2.68 116.25 117.06 2wj4 h VAL 169 Ca 0.01 -2.75 0.01 0.00 0.82 0.00 0.00 66.70 64.78 2wj4 h VAL 169 Cb 1.11 2.90 -0.04 0.00 -1.52 0.00 0.00 31.29 33.73 2wj4 h VAL 169 CO 0.11 0.82 0.53 0.03 0.02 0.00 0.00 177.57 179.08 2wj4 h ARG 170 N 0.16 1.06 -0.84 1.57 3.08 -1.07 -0.90 114.38 117.43 2wj4 h ARG 170 Ca -0.19 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 2wj4 h ARG 170 Cb 2.01 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 31.79 2wj4 h ARG 170 CO 0.24 0.70 0.43 1.25 -1.07 0.00 0.00 179.97 181.52 2wj4 h HIS 171 N 1.09 1.18 -0.32 3.04 2.76 -1.42 -0.18 115.15 121.30 2wj4 h HIS 171 Ca 0.29 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.33 2wj4 h HIS 171 Cb -0.12 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.46 2wj4 h HIS 171 CO -0.02 0.84 -0.15 1.25 -1.30 0.00 0.00 177.93 178.56 2wj4 h HIS 172 N 1.19 0.77 -0.15 5.26 -0.00 -1.02 -0.73 115.15 120.48 2wj4 h HIS 172 Ca 0.29 -0.19 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 2wj4 h HIS 172 Cb 0.08 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 27.30 2wj4 h HIS 172 CO 0.01 0.88 -0.11 -0.07 -0.00 0.00 0.00 177.93 178.65 2wj4 h LEU 173 N 0.44 0.35 0.00 0.26 3.38 -1.10 -1.77 115.31 116.87 2wj4 h LEU 173 Ca 0.07 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2wj4 h LEU 173 Cb 0.67 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2wj4 h LEU 173 CO 0.05 0.73 -1.18 0.18 0.09 0.00 0.00 178.44 178.31 2wj4 n LEU 174 N -4.60 0.69 -0.02 1.67 4.77 -0.09 -3.75 117.00 115.67 2wj4 n LEU 174 Ca -0.06 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 2wj4 n LEU 174 Cb 0.33 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2wj4 n LEU 174 CO 0.38 -0.15 -0.61 1.21 -1.33 0.00 0.00 177.39 176.90 2wj4 n GLU 175 N -2.57 0.13 0.12 3.23 4.07 -0.33 -4.47 120.64 120.81 2wj4 n GLU 175 Ca -0.01 0.06 0.13 0.00 -0.06 0.00 0.00 57.16 57.28 2wj4 n GLU 175 Cb 0.55 -0.72 0.44 0.00 -0.06 0.00 0.00 31.44 31.64 2wj4 n GLU 175 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2wj4 n GLU 176 N -3.37 0.24 -0.09 5.31 1.02 -0.87 -2.24 120.64 120.64 2wj4 n GLU 176 Ca -0.11 0.30 0.08 0.00 -0.02 0.00 0.00 57.16 57.41 2wj4 n GLU 176 Cb 0.50 -1.84 0.12 0.00 -0.02 0.00 0.00 31.44 30.21 2wj4 n GLU 176 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wj4 n MET 177 N -2.27 1.81 0.22 3.49 2.81 -0.70 -4.76 117.12 117.73 2wj4 n MET 177 Ca 0.04 -1.77 0.08 0.00 -1.81 0.00 0.00 57.70 54.24 2wj4 n MET 177 Cb 0.35 -1.34 0.48 0.00 -0.71 0.00 0.00 33.22 32.01 2wj4 n MET 177 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wj4 h ALA 178 N 3.12 1.19 -0.00 3.04 0.00 -1.62 -2.40 119.26 122.59 2wj4 h ALA 178 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wj4 h ALA 178 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2wj4 h ALA 178 CO 0.00 0.34 -0.07 -0.25 0.00 0.00 0.00 179.25 179.27 2wj4 n ASP 179 N -3.69 0.39 -4.78 0.00 8.00 -1.26 -4.85 116.55 110.36 2wj4 n ASP 179 Ca -0.01 -0.62 -0.39 0.00 0.71 0.00 0.00 54.79 54.48 2wj4 n ASP 179 Cb 0.39 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 2wj4 n ASP 179 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2wj4 s TYR 180 N -2.40 3.81 0.08 1.24 1.51 -0.91 -4.70 117.35 115.98 2wj4 s TYR 180 Ca 0.32 1.43 0.00 0.00 -1.01 0.00 0.00 57.07 57.81 2wj4 s TYR 180 Cb 0.20 -2.67 0.00 0.00 -0.11 0.00 0.00 41.96 39.38 2wj4 s TYR 180 CO 0.45 0.46 0.00 0.41 -1.11 0.00 0.00 175.55 175.77 2wj4 n GLY 181 N 1.92 4.06 0.33 0.71 0.00 -1.26 -4.97 105.19 105.99 2wj4 n GLY 181 Ca -0.07 -2.23 0.12 0.00 0.00 0.00 0.00 46.02 43.84 2wj4 n GLY 181 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wj4 h TYR 182 N 1.02 0.26 -0.85 1.61 3.20 -1.97 -0.14 116.97 120.11 2wj4 h TYR 182 Ca -0.06 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.86 2wj4 h TYR 182 Cb 0.20 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 2wj4 h TYR 182 CO 0.00 0.13 0.54 0.22 -1.64 0.00 0.00 178.16 177.41 2wj4 h ASP 183 N 0.26 0.88 0.10 -2.11 3.58 -1.97 0.40 116.42 117.55 2wj4 h ASP 183 Ca 0.20 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 2wj4 h ASP 183 Cb 0.45 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2wj4 h ASP 183 CO -0.04 0.59 -0.05 0.00 -2.88 0.00 0.00 179.24 176.86 2wj4 h TRP 185 N -0.95 1.06 -0.93 0.00 4.06 -1.04 -0.42 115.95 117.72 2wj4 h TRP 185 Ca -0.01 -0.10 -0.01 0.00 2.06 0.00 0.00 58.89 60.83 2wj4 h TRP 185 Cb 0.48 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 28.28 2wj4 h TRP 185 CO 0.10 0.84 0.55 0.78 -3.56 0.00 0.00 178.44 177.15 2wj4 h GLY 186 N 0.97 1.36 0.87 1.49 0.00 -0.18 -2.33 103.07 105.25 2wj4 h GLY 186 Ca 0.22 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2wj4 h GLY 186 CO -0.01 0.56 0.05 -0.09 0.00 0.00 0.00 176.54 177.05 2wj4 h ARG 187 N 1.29 0.40 -0.44 4.80 2.43 -1.31 -2.35 114.38 119.19 2wj4 h ARG 187 Ca 0.33 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 2wj4 h ARG 187 Cb -0.04 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.39 2wj4 h ARG 187 CO -0.06 0.51 0.06 0.66 -1.51 0.00 0.00 179.97 179.62 2wj4 h SER 188 N 0.22 -0.06 -0.56 -3.80 4.64 -0.95 0.43 113.55 113.47 2wj4 h SER 188 Ca 0.08 0.09 0.10 0.00 -0.47 0.00 0.00 61.79 61.58 2wj4 h SER 188 Cb 0.30 0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.44 2wj4 h SER 188 CO 0.00 0.00 0.12 1.23 -0.87 0.00 0.00 176.83 177.32 2wj4 h GLY 189 N 0.18 0.70 0.55 -0.77 0.00 -1.40 0.17 103.07 102.50 2wj4 h GLY 189 Ca 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2wj4 h GLY 189 CO -0.31 -0.09 -0.00 3.21 0.00 0.00 0.00 176.54 179.35 2wj4 h ARG 190 N 0.26 -0.01 -0.66 4.80 3.08 -0.61 -1.64 114.38 119.61 2wj4 h ARG 190 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 2wj4 h ARG 190 Cb 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2wj4 h ARG 190 CO -0.36 0.44 0.35 0.28 -1.07 0.00 0.00 179.97 179.61 2wj4 h VAL 191 N -0.46 1.21 -0.18 2.04 2.07 0.02 -0.56 116.25 120.39 2wj4 h VAL 191 Ca -0.00 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 2wj4 h VAL 191 Cb 0.45 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2wj4 h VAL 191 CO 0.00 0.24 -0.26 0.40 0.02 0.00 0.00 177.57 177.97 2wj4 h ILE 192 N 0.90 1.34 -0.50 4.57 2.04 -0.72 0.41 117.51 125.56 2wj4 h ILE 192 Ca 0.23 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.66 2wj4 h ILE 192 Cb 0.06 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2wj4 h ILE 192 CO -0.03 0.44 0.27 -0.08 0.00 0.00 0.00 178.15 178.75 2wj4 h GLU 193 N 0.15 0.51 -0.45 2.37 4.81 -1.23 -2.09 114.58 118.64 2wj4 h GLU 193 Ca 0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2wj4 h GLU 193 Cb 0.83 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2wj4 h GLU 193 CO 0.06 0.34 0.25 0.22 -0.73 0.00 0.00 179.01 179.15 2wj4 h ASP 194 N 0.53 0.57 -0.49 1.04 3.58 -1.03 -2.05 116.42 118.56 2wj4 h ASP 194 Ca 0.21 -0.09 0.09 0.00 0.42 0.00 0.00 57.03 57.67 2wj4 h ASP 194 Cb 0.09 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 40.93 2wj4 h ASP 194 CO -0.13 0.49 0.06 0.00 -2.88 0.00 0.00 179.24 176.78 2wj4 h ALA 195 N 1.10 0.52 -0.53 -0.78 0.00 0.31 -0.03 119.26 119.86 2wj4 h ALA 195 Ca 0.16 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 2wj4 h ALA 195 Cb 0.05 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2wj4 h ALA 195 CO -0.03 -0.34 -0.13 1.88 0.00 0.00 0.00 179.25 180.64 2wj4 h TYR 196 N 0.19 1.14 -0.25 0.00 -1.99 -1.37 -1.28 116.97 113.40 2wj4 h TYR 196 Ca 0.25 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2wj4 h TYR 196 Cb 0.35 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 2wj4 h TYR 196 CO -0.26 1.06 0.16 0.78 -0.00 0.00 0.00 178.16 179.90 2wj4 h GLY 197 N 0.93 0.35 1.69 3.88 0.00 -0.91 0.30 103.07 109.30 2wj4 h GLY 197 Ca 0.14 -0.12 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 2wj4 h GLY 197 CO 0.05 0.12 -0.99 0.07 0.00 0.00 0.00 176.54 175.79 2wj4 h ARG 198 N 0.33 0.00 -0.00 4.80 0.11 -1.04 -3.36 114.38 115.21 2wj4 h ARG 198 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2wj4 h ARG 198 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 2wj4 h ARG 198 CO -0.03 0.63 -0.49 0.09 0.10 0.00 0.00 179.97 180.28 2wj4 n ASN 199 N -3.19 0.92 0.00 0.08 4.13 -0.48 -5.02 115.26 111.70 2wj4 n ASN 199 Ca -0.03 -0.96 0.00 0.00 1.68 0.00 0.00 54.58 55.27 2wj4 n ASN 199 Cb 0.87 0.80 0.00 0.00 -1.54 0.00 0.00 39.78 39.91 2wj4 n ASN 199 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wj4 n GLY 200 N 1.21 2.01 3.61 7.41 0.00 0.10 -3.73 105.19 115.80 2wj4 n GLY 200 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 2wj4 n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wj4 s SER 201 N 0.00 -0.16 0.39 1.61 1.04 -1.26 -4.50 113.70 110.82 2wj4 s SER 201 Ca 0.00 -0.09 0.14 0.00 0.48 0.00 0.00 55.95 56.48 2wj4 s SER 201 Cb 0.00 0.24 0.98 0.00 0.10 0.00 0.00 66.02 67.34 2wj4 s SER 201 CO 0.00 -0.41 1.85 -0.65 0.98 0.00 0.00 173.24 175.01 2wj4 h PRO 202 N 2.00 0.50 -0.21 4.02 0.11 -1.80 -1.00 132.00 135.62 2wj4 h PRO 202 Ca -0.19 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.79 2wj4 h PRO 202 Cb 1.20 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wj4 h PRO 202 CO 0.26 0.33 -0.24 0.52 -0.21 0.00 0.00 178.00 178.66 2wj4 h MET 203 N 0.51 0.53 -0.40 1.05 2.86 -1.93 -0.97 114.93 116.58 2wj4 h MET 203 Ca 0.48 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2wj4 h MET 203 Cb 1.03 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 2wj4 h MET 203 CO -0.21 0.88 0.23 0.37 1.06 0.00 0.00 176.91 179.24 2wj4 h GLN 204 N 0.20 0.55 -0.50 1.72 5.75 -1.75 -0.28 115.11 120.80 2wj4 h GLN 204 Ca 0.03 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2wj4 h GLN 204 Cb 0.80 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 2wj4 h GLN 204 CO 0.06 0.43 0.32 1.98 -2.65 0.00 0.00 178.83 178.97 2wj4 h MET 205 N 0.52 0.67 -0.43 1.69 4.05 -1.19 -1.73 114.93 118.50 2wj4 h MET 205 Ca 0.14 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.46 2wj4 h MET 205 Cb 0.04 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 2wj4 h MET 205 CO -0.02 0.46 0.07 0.52 0.23 0.00 0.00 176.91 178.17 2wj4 h MET 206 N 0.68 0.71 0.00 0.39 2.86 -1.03 -2.67 114.93 115.87 2wj4 h MET 206 Ca 0.18 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2wj4 h MET 206 Cb -0.05 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 2wj4 h MET 206 CO -0.04 0.74 -0.01 0.00 1.06 0.00 0.00 176.91 178.66 2wj4 h ALA 207 N 0.94 1.16 -0.04 6.32 0.00 -0.84 -1.91 119.26 124.88 2wj4 h ALA 207 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wj4 h ALA 207 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wj4 h ALA 207 CO 0.01 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.37 2wj4 n ASN 208 N -3.34 2.15 -4.68 0.00 3.02 -0.67 -4.94 115.26 106.80 2wj4 n ASN 208 Ca -0.03 -1.72 -0.42 0.00 -0.03 0.00 0.00 54.58 52.39 2wj4 n ASN 208 Cb 0.11 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 2wj4 n ASN 208 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wj4 n LEU 209 N 0.68 3.51 -0.10 3.41 4.77 -0.72 -4.89 117.00 123.66 2wj4 n LEU 209 Ca 0.17 1.15 -0.09 0.00 -0.03 0.00 0.00 56.01 57.21 2wj4 n LEU 209 Cb 0.46 -1.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.07 2wj4 n LEU 209 CO 0.16 -0.71 1.00 0.74 -1.33 0.00 0.00 177.39 177.24 2wj4 h THR 210 N 2.23 1.10 -3.44 -5.08 2.02 -1.92 -3.35 112.91 104.46 2wj4 h THR 210 Ca -0.46 -0.20 -0.64 0.00 0.77 0.00 0.00 66.41 65.88 2wj4 h THR 210 Cb 1.30 0.64 -0.41 0.00 -1.74 0.00 0.00 68.15 67.94 2wj4 h THR 210 CO 0.61 0.09 -0.68 -0.54 0.37 0.00 0.00 175.52 175.38 2wj4 s LYS 211 N -6.10 1.69 0.79 6.66 -0.14 -1.26 -5.11 119.74 116.27 2wj4 s LYS 211 Ca -0.13 -2.25 -0.11 0.00 -1.36 0.00 0.00 55.97 52.12 2wj4 s LYS 211 Cb 0.10 -3.14 0.07 0.00 -1.68 0.00 0.00 37.83 33.18 2wj4 s LYS 211 CO 0.71 -1.05 1.11 0.95 -0.76 0.00 0.00 175.35 176.32 2wj4 s THR 212 N 0.25 2.94 0.07 2.17 -4.23 -1.26 -4.86 115.64 110.73 2wj4 s THR 212 Ca 0.15 0.33 -0.27 0.00 -1.18 0.00 0.00 61.69 60.71 2wj4 s THR 212 Cb -0.23 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 70.99 2wj4 s THR 212 CO -0.04 -0.38 1.13 0.00 -0.54 0.00 0.00 174.62 174.79 2wj4 s ARG 213 N -4.68 0.82 -0.05 3.99 1.70 -1.26 -5.08 118.95 114.38 2wj4 s ARG 213 Ca 0.64 -0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 55.14 2wj4 s ARG 213 Cb -0.20 0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 34.39 2wj4 s ARG 213 CO 0.54 -0.37 1.87 -2.14 -1.08 0.00 0.00 175.30 174.11 2wj4 s PRO 214 N -2.78 3.98 -0.06 3.89 0.02 -1.26 -4.76 135.00 134.03 2wj4 s PRO 214 Ca 0.14 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.50 2wj4 s PRO 214 Cb 0.01 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.41 2wj4 s PRO 214 CO -0.00 -1.11 -0.17 0.42 -0.33 0.00 0.00 177.00 175.80 2wj4 s ILE 215 N 4.92 1.47 -0.14 2.83 1.01 -0.70 -1.91 121.20 128.68 2wj4 s ILE 215 Ca 0.84 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.78 2wj4 s ILE 215 Cb -0.37 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 40.83 2wj4 s ILE 215 CO 0.36 0.42 -0.17 -0.60 0.00 0.00 0.00 174.94 174.95 2wj4 s ARG 216 N 0.21 3.19 -0.39 2.79 3.52 -1.02 -1.44 118.95 125.81 2wj4 s ARG 216 Ca -0.08 -0.77 -0.23 0.00 -0.13 0.00 0.00 55.73 54.52 2wj4 s ARG 216 Cb -0.13 -2.56 0.01 0.00 -1.56 0.00 0.00 34.95 30.71 2wj4 s ARG 216 CO 0.03 0.06 0.75 -1.58 -0.81 0.00 0.00 175.30 173.75 2wj4 s HIS 217 N 0.70 3.08 -0.19 5.12 5.65 0.12 -1.90 115.29 127.87 2wj4 s HIS 217 Ca -0.08 0.39 -0.05 0.00 0.25 0.00 0.00 55.06 55.57 2wj4 s HIS 217 Cb -0.16 -3.43 -0.03 0.00 -1.18 0.00 0.00 32.58 27.79 2wj4 s HIS 217 CO 0.02 -0.79 -0.01 0.96 -0.65 0.00 0.00 174.74 174.27 2wj4 s ILE 218 N 3.07 4.00 0.05 0.89 -4.36 -0.41 -1.22 121.20 123.23 2wj4 s ILE 218 Ca 0.29 -0.30 -0.17 0.00 -0.26 0.00 0.00 60.65 60.21 2wj4 s ILE 218 Cb -0.13 -2.79 0.03 0.00 1.25 0.00 0.00 42.46 40.82 2wj4 s ILE 218 CO 0.18 0.45 0.39 0.72 0.24 0.00 0.00 174.94 176.92 2wj4 s PHE 219 N 0.77 -0.23 -0.09 1.37 -0.71 -0.87 -1.09 117.98 117.14 2wj4 s PHE 219 Ca 0.00 0.14 0.11 0.00 -1.04 0.00 0.00 56.93 56.14 2wj4 s PHE 219 Cb -0.14 0.20 -0.15 0.00 -1.21 0.00 0.00 43.02 41.71 2wj4 s PHE 219 CO 0.02 -0.57 0.09 0.43 -1.34 0.00 0.00 175.22 173.86 2wj4 n SER 220 N 0.45 2.19 -4.18 1.98 7.64 -1.26 -1.06 113.62 119.38 2wj4 n SER 220 Ca -0.18 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.59 2wj4 n SER 220 Cb 0.60 0.97 -0.10 0.00 -1.01 0.00 0.00 64.21 64.67 2wj4 n SER 220 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wj4 s GLN 221 N -2.41 1.00 0.69 1.43 -2.07 -1.26 -4.31 119.66 112.72 2wj4 s GLN 221 Ca -0.05 -1.48 -0.17 0.00 -1.82 0.00 0.00 55.36 51.84 2wj4 s GLN 221 Cb 0.04 0.06 -0.02 0.00 -1.09 0.00 0.00 33.01 32.00 2wj4 s GLN 221 CO 0.48 -0.22 0.85 -2.30 -1.32 0.00 0.00 175.29 172.78 2wj4 n PRO 222 N -0.15 0.55 0.03 9.60 -0.02 -1.26 -4.76 135.00 138.99 2wj4 n PRO 222 Ca -0.06 0.24 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 2wj4 n PRO 222 Cb 0.64 -2.10 0.07 0.00 -0.02 0.00 0.00 33.50 32.09 2wj4 n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wj4 n THR 223 N -2.27 0.20 -2.39 3.45 -2.24 -1.26 -4.77 114.28 105.00 2wj4 n THR 223 Ca 0.13 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 2wj4 n THR 223 Cb 0.49 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 2wj4 n THR 223 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wj4 s GLU 224 N -3.17 3.58 0.44 -0.78 8.01 -1.26 -4.91 118.70 120.60 2wj4 s GLU 224 Ca 0.05 1.46 0.13 0.00 0.01 0.00 0.00 54.97 56.61 2wj4 s GLU 224 Cb 0.14 -2.05 0.96 0.00 -4.31 0.00 0.00 34.13 28.87 2wj4 s GLU 224 CO 0.78 -0.63 1.99 -1.00 0.01 0.00 0.00 175.26 176.41 2wj4 h PRO 225 N 1.33 0.11 -0.03 0.39 0.13 -2.00 -1.43 132.00 130.50 2wj4 h PRO 225 Ca -0.50 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 2wj4 h PRO 225 Cb 1.24 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wj4 h PRO 225 CO 0.58 0.23 -0.08 0.93 -0.23 0.00 0.00 178.00 179.43 2wj4 h GLU 226 N 0.11 0.04 -0.10 0.86 3.07 -1.98 -0.62 114.58 115.95 2wj4 h GLU 226 Ca 0.02 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 2wj4 h GLU 226 Cb 0.27 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2wj4 h GLU 226 CO 0.02 0.13 -0.33 -0.92 -1.40 0.00 0.00 179.01 176.51 2wj4 h TYR 227 N 0.04 0.51 -0.93 4.33 3.20 -1.61 -2.74 116.97 119.78 2wj4 h TYR 227 Ca 0.01 -0.21 0.15 0.00 3.14 0.00 0.00 58.73 61.82 2wj4 h TYR 227 Cb 0.18 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 2wj4 h TYR 227 CO 0.00 0.94 0.53 1.49 -1.64 0.00 0.00 178.16 179.48 2wj4 h GLU 228 N -0.06 0.74 -0.43 1.82 4.22 -1.26 -2.73 114.58 116.88 2wj4 h GLU 228 Ca -0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 2wj4 h GLU 228 Cb 0.95 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2wj4 h GLU 228 CO 0.07 0.49 0.16 -0.22 -2.18 0.00 0.00 179.01 177.33 2wj4 h LYS 229 N 0.76 0.66 -0.05 1.92 3.64 -0.91 -0.35 116.57 122.23 2wj4 h LYS 229 Ca 0.50 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 2wj4 h LYS 229 Cb 0.66 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2wj4 h LYS 229 CO -0.34 0.62 -0.24 -0.84 -2.27 0.00 0.00 179.45 176.38 2wj4 h ILE 230 N 0.55 1.20 -0.21 2.00 3.07 -1.24 0.11 117.51 122.99 2wj4 h ILE 230 Ca 0.14 -0.94 -0.05 0.00 1.55 0.00 0.00 64.86 65.56 2wj4 h ILE 230 Cb 0.22 1.44 -0.01 0.00 -0.27 0.00 0.00 36.82 38.20 2wj4 h ILE 230 CO -0.01 0.28 -0.07 0.78 -1.05 0.00 0.00 178.15 178.08 2wj4 h ASN 231 N 0.08 0.43 -0.50 2.16 2.35 -1.08 -1.74 115.58 117.29 2wj4 h ASN 231 Ca 0.01 -0.39 -0.10 0.00 -0.55 0.00 0.00 56.30 55.28 2wj4 h ASN 231 Cb 0.48 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2wj4 h ASN 231 CO 0.03 0.72 -0.07 0.77 -1.65 0.00 0.00 177.43 177.23 2wj4 h SER 232 N 0.14 0.93 -0.95 5.81 4.64 -0.72 -0.87 113.55 122.53 2wj4 h SER 232 Ca 0.05 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2wj4 h SER 232 Cb 0.54 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.33 2wj4 h SER 232 CO 0.03 1.05 0.60 0.44 -0.87 0.00 0.00 176.83 178.08 2wj4 h ASP 233 N 0.79 1.12 -0.42 4.97 3.32 -0.84 -0.15 116.42 125.21 2wj4 h ASP 233 Ca 0.13 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 2wj4 h ASP 233 Cb 0.62 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2wj4 h ASP 233 CO 0.04 0.84 -0.20 0.15 -1.72 0.00 0.00 179.24 178.35 2wj4 h PHE 234 N 1.30 1.04 -0.04 4.55 3.04 -1.16 -2.68 116.94 123.00 2wj4 h PHE 234 Ca 0.34 -0.24 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 2wj4 h PHE 234 Cb -0.10 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.15 2wj4 h PHE 234 CO 0.00 1.03 -0.50 0.00 -2.02 0.00 0.00 178.31 176.82 2wj4 h ALA 235 N 0.97 1.10 -0.07 2.41 0.00 -0.83 -2.00 119.26 120.84 2wj4 h ALA 235 Ca 0.11 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2wj4 h ALA 235 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2wj4 h ALA 235 CO 0.06 0.64 -0.47 0.93 0.00 0.00 0.00 179.25 180.40 2wj4 h GLU 236 N 0.08 0.18 0.00 0.00 5.08 -0.89 -3.19 114.58 115.84 2wj4 h GLU 236 Ca 0.00 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2wj4 h GLU 236 Cb 0.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2wj4 h GLU 236 CO 0.07 0.62 -0.56 0.37 -1.00 0.00 0.00 179.01 178.51 2wj4 h GLN 237 N 0.15 0.00 -3.99 2.33 4.15 -1.21 -3.44 115.11 113.10 2wj4 h GLN 237 Ca 0.01 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.85 2wj4 h GLN 237 Cb 0.89 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.19 2wj4 h GLN 237 CO 0.07 0.21 -0.77 -1.01 -1.93 0.00 0.00 178.83 175.40 2wj4 s HIS 238 N -3.11 1.96 0.55 3.99 3.76 -0.78 -4.99 115.29 116.67 2wj4 s HIS 238 Ca 0.03 -1.57 0.25 0.00 -0.15 0.00 0.00 55.06 53.61 2wj4 s HIS 238 Cb 0.07 -1.53 1.48 0.00 1.11 0.00 0.00 32.58 33.71 2wj4 s HIS 238 CO 0.74 -0.76 2.08 -1.35 -0.85 0.00 0.00 174.74 174.60 2wj4 h PRO 239 N 8.04 0.00 0.00 8.40 0.11 -1.86 -1.58 132.00 145.11 2wj4 h PRO 239 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2wj4 h PRO 239 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wj4 h PRO 239 CO 0.41 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.31 2wj4 h TRP 240 N 0.00 0.00 -3.02 0.65 5.08 -1.91 -3.46 115.95 113.29 2wj4 h TRP 240 Ca 0.12 0.00 -0.63 0.00 1.08 0.00 0.00 58.89 59.46 2wj4 h TRP 240 Cb 0.55 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.61 2wj4 h TRP 240 CO 0.00 0.00 -0.49 0.12 -1.28 0.00 0.00 178.44 176.79 2wj4 s PHE 241 N -3.16 3.48 0.13 0.12 5.36 -0.60 -1.72 117.98 121.60 2wj4 s PHE 241 Ca 0.09 0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 2wj4 s PHE 241 Cb 0.10 -2.07 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 2wj4 s PHE 241 CO 0.61 0.47 0.01 -1.54 -1.46 0.00 0.00 175.22 173.30 2wj4 s SER 242 N -0.19 0.78 0.11 6.13 1.04 -0.52 -4.65 113.70 116.40 2wj4 s SER 242 Ca 0.11 -1.14 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 2wj4 s SER 242 Cb -0.11 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 2wj4 s SER 242 CO 0.00 -0.62 0.11 -0.72 0.98 0.00 0.00 173.24 173.00 2wj4 s TYR 243 N -3.83 0.51 -0.13 5.02 1.13 -1.26 -0.70 117.35 118.09 2wj4 s TYR 243 Ca 0.20 -0.94 -0.05 0.00 -1.41 0.00 0.00 57.07 54.87 2wj4 s TYR 243 Cb 0.07 -0.27 0.07 0.00 -1.10 0.00 0.00 41.96 40.72 2wj4 s TYR 243 CO 0.00 -0.53 0.27 0.00 -2.51 0.00 0.00 175.55 172.78 2wj4 s ALA 244 N -3.95 -0.57 -0.26 9.51 0.00 -0.36 -4.93 121.76 121.20 2wj4 s ALA 244 Ca 0.14 0.94 -0.27 0.00 0.00 0.00 0.00 51.96 52.76 2wj4 s ALA 244 Cb 0.06 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 22.15 2wj4 s ALA 244 CO -0.05 -0.66 0.97 0.21 0.00 0.00 0.00 175.76 176.23 2wj4 s LYS 245 N 2.43 4.18 0.13 0.00 2.20 -1.26 -2.05 119.74 125.36 2wj4 s LYS 245 Ca 0.01 1.13 0.19 0.00 -0.36 0.00 0.00 55.97 56.94 2wj4 s LYS 245 Cb -0.12 -3.67 -0.07 0.00 -1.51 0.00 0.00 37.83 32.46 2wj4 s LYS 245 CO -0.09 -0.66 0.94 -0.07 -0.36 0.00 0.00 175.35 175.12 2wj4 h LEU 246 N 9.50 0.00 0.21 5.43 3.38 -1.45 -3.49 115.31 128.90 2wj4 h LEU 246 Ca -0.21 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2wj4 h LEU 246 Cb 1.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 2wj4 h LEU 246 CO 0.95 0.39 -0.08 0.61 0.09 0.00 0.00 178.44 180.40 2wj4 n GLY 247 N 1.31 0.72 3.78 0.83 0.00 -1.26 -5.00 105.19 105.57 2wj4 n GLY 247 Ca -0.06 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 2wj4 n GLY 247 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wj4 s GLY 248 N -2.74 1.62 0.34 -0.02 0.00 -1.26 -4.97 107.32 100.29 2wj4 s GLY 248 Ca 0.00 -0.17 0.18 0.00 0.00 0.00 0.00 44.72 44.73 2wj4 s GLY 248 CO 0.00 0.27 1.53 -0.56 0.00 0.00 0.00 173.10 174.34 2wj4 h PRO 249 N -1.21 0.00 -5.05 2.90 0.13 -1.94 -3.46 132.00 123.37 2wj4 h PRO 249 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 2wj4 h PRO 249 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2wj4 h PRO 249 CO 0.58 0.33 -0.52 0.95 -0.23 0.00 0.00 178.00 179.11 2wj4 s THR 250 N -3.10 0.63 -0.70 1.56 -4.23 -1.26 -4.65 115.64 103.89 2wj4 s THR 250 Ca 0.05 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.67 2wj4 s THR 250 Cb 0.07 -2.38 0.11 0.00 1.34 0.00 0.00 72.50 71.64 2wj4 s THR 250 CO 0.71 0.00 1.35 1.57 -0.54 0.00 0.00 174.62 177.72 2wj4 n HIS 251 N -0.89 0.31 -3.31 3.99 -0.00 -0.66 -4.10 115.22 110.56 2wj4 n HIS 251 Ca -0.06 0.15 -0.33 0.00 -0.00 0.00 0.00 57.72 57.49 2wj4 n HIS 251 Cb 0.65 -0.74 -0.05 0.00 -0.00 0.00 0.00 29.99 29.85 2wj4 n HIS 251 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2wj4 n PHE 252 N -1.81 3.23 0.27 1.57 3.01 -1.26 -4.80 117.46 117.66 2wj4 n PHE 252 Ca 0.00 -3.66 0.10 0.00 1.01 0.00 0.00 57.45 54.91 2wj4 n PHE 252 Cb 0.06 -0.81 0.72 0.00 -0.01 0.00 0.00 39.48 39.45 2wj4 n PHE 252 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2wj4 h PRO 253 N 4.68 0.00 -0.32 -1.08 0.13 -1.95 0.97 132.00 134.44 2wj4 h PRO 253 Ca 0.20 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.40 2wj4 h PRO 253 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2wj4 h PRO 253 CO 1.00 0.02 0.22 0.00 -0.23 0.00 0.00 178.00 179.01 2wj4 h ALA 254 N 1.98 2.20 0.00 -0.56 0.00 -1.89 -0.44 119.26 120.56 2wj4 h ALA 254 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2wj4 h ALA 254 Cb 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2wj4 h ALA 254 CO 0.00 -0.29 -1.46 -0.89 0.00 0.00 0.00 179.25 176.62 2wj4 n ILE 255 N -4.46 1.53 0.07 0.00 5.41 0.18 -3.99 119.36 118.10 2wj4 n ILE 255 Ca 0.04 -0.08 -0.02 0.00 1.00 0.00 0.00 62.75 63.70 2wj4 n ILE 255 Cb 0.34 -2.03 -0.06 0.00 -0.71 0.00 0.00 39.64 37.18 2wj4 n ILE 255 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2wj4 h ASP 256 N -1.00 0.00 -1.69 4.38 3.04 -1.08 -3.38 116.42 116.69 2wj4 h ASP 256 Ca -0.40 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 52.90 2wj4 h ASP 256 Cb 1.33 0.00 -0.41 0.00 -1.04 0.00 0.00 39.33 39.21 2wj4 h ASP 256 CO -0.24 0.69 -1.00 1.33 -2.04 0.00 0.00 179.24 177.98 2wj4 n VAL 257 N -3.11 1.29 -0.25 4.15 0.24 -0.19 -4.94 118.33 115.51 2wj4 n VAL 257 Ca -0.05 -4.42 0.05 0.00 -2.04 0.00 0.00 64.34 57.88 2wj4 n VAL 257 Cb 0.85 -0.41 0.29 0.00 -1.47 0.00 0.00 33.84 33.11 2wj4 n VAL 257 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2wj4 h PRO 258 N 2.92 0.87 -0.17 7.34 0.13 -1.66 -0.81 132.00 140.61 2wj4 h PRO 258 Ca 0.08 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 2wj4 h PRO 258 Cb 0.92 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2wj4 h PRO 258 CO 0.63 0.58 -0.02 0.38 -0.23 0.00 0.00 178.00 179.34 2wj4 h ASP 259 N 0.90 0.23 0.04 1.44 2.03 -1.91 0.02 116.42 119.16 2wj4 h ASP 259 Ca 0.36 -0.03 -0.08 0.00 -0.73 0.00 0.00 57.03 56.54 2wj4 h ASP 259 Cb 0.24 -0.06 0.01 0.00 -0.83 0.00 0.00 39.33 38.69 2wj4 h ASP 259 CO -0.13 0.29 -0.35 0.03 -1.03 0.00 0.00 179.24 178.05 2wj4 h ARG 260 N 0.25 0.17 -0.78 4.15 2.47 -1.53 -2.39 114.38 116.71 2wj4 h ARG 260 Ca 0.06 -0.23 0.13 0.00 -1.26 0.00 0.00 59.98 58.67 2wj4 h ARG 260 Cb 0.20 0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 28.51 2wj4 h ARG 260 CO 0.01 1.05 0.38 0.00 0.56 0.00 0.00 179.97 181.96 2wj4 h ALA 261 N 0.13 1.12 -0.82 0.04 0.00 -1.36 -2.01 119.26 116.36 2wj4 h ALA 261 Ca -0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wj4 h ALA 261 Cb 1.21 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2wj4 h ALA 261 CO 0.07 -0.10 0.48 0.00 0.00 0.00 0.00 179.25 179.69 2wj4 h ALA 262 N 1.51 1.29 -0.35 0.00 0.00 -0.93 -2.60 119.26 118.18 2wj4 h ALA 262 Ca 0.41 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 2wj4 h ALA 262 Cb 0.55 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2wj4 h ALA 262 CO -0.34 0.60 -0.16 -0.39 0.00 0.00 0.00 179.25 178.96 2wj4 h VAL 263 N 1.14 1.25 -0.32 0.00 -1.51 -0.83 0.34 116.25 116.33 2wj4 h VAL 263 Ca 0.29 -1.17 -0.14 0.00 -1.23 0.00 0.00 66.70 64.46 2wj4 h VAL 263 Cb -0.01 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 2wj4 h VAL 263 CO -0.05 0.39 -0.36 0.45 -1.23 0.00 0.00 177.57 176.77 2wj4 h HIS 264 N 0.58 0.85 0.16 5.19 3.86 -1.36 -0.86 115.15 123.57 2wj4 h HIS 264 Ca 0.10 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 2wj4 h HIS 264 Cb 0.60 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2wj4 h HIS 264 CO 0.03 0.98 -0.07 0.82 0.86 0.00 0.00 177.93 180.54 2wj4 h ILE 265 N 0.60 0.95 -0.75 2.45 2.04 -1.19 -1.40 117.51 120.21 2wj4 h ILE 265 Ca 0.06 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.57 2wj4 h ILE 265 Cb 0.89 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 2wj4 h ILE 265 CO 0.08 0.11 0.49 0.03 0.00 0.00 0.00 178.15 178.86 2wj4 h ARG 266 N -0.43 0.56 -0.07 2.37 3.08 -0.93 0.30 114.38 119.27 2wj4 h ARG 266 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2wj4 h ARG 266 Cb 0.34 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2wj4 h ARG 266 CO 0.04 0.37 0.02 1.49 -1.07 0.00 0.00 179.97 180.81 2wj4 h GLU 267 N 0.58 0.10 -0.39 0.04 4.81 -0.68 -1.26 114.58 117.79 2wj4 h GLU 267 Ca 0.35 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.44 2wj4 h GLU 267 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2wj4 h GLU 267 CO -0.13 0.28 -0.24 0.74 -0.73 0.00 0.00 179.01 178.94 2wj4 h PHE 268 N -0.10 0.90 -0.10 0.92 -1.00 -0.74 -1.77 116.94 115.05 2wj4 h PHE 268 Ca 0.02 -0.21 -0.03 0.00 2.81 0.00 0.00 57.97 60.57 2wj4 h PHE 268 Cb 0.22 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 2wj4 h PHE 268 CO -0.00 0.94 -0.05 0.00 -1.61 0.00 0.00 178.31 177.59 2wj4 h ALA 269 N 1.05 1.73 0.18 2.45 0.00 -0.37 -1.52 119.26 122.78 2wj4 h ALA 269 Ca 0.09 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 2wj4 h ALA 269 Cb 0.75 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2wj4 h ALA 269 CO 0.06 0.21 -1.47 1.15 0.00 0.00 0.00 179.25 179.19 2wj4 h THR 270 N 0.14 1.26 -0.87 0.00 2.02 -0.93 -2.22 112.91 112.31 2wj4 h THR 270 Ca 0.03 -2.79 0.11 0.00 0.77 0.00 0.00 66.41 64.53 2wj4 h THR 270 Cb 0.20 2.91 -0.08 0.00 -1.74 0.00 0.00 68.15 69.44 2wj4 h THR 270 CO 0.01 0.84 0.51 0.00 0.37 0.00 0.00 175.52 177.25 2wj4 h ALA 271 N 0.34 1.27 -0.29 6.16 0.00 -1.18 -1.47 119.26 124.09 2wj4 h ALA 271 Ca -0.24 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2wj4 h ALA 271 Cb 2.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2wj4 h ALA 271 CO 0.22 0.11 0.04 0.82 0.00 0.00 0.00 179.25 180.44 2wj4 h ILE 272 N 0.83 1.24 -0.38 0.00 2.04 -1.26 -3.18 117.51 116.80 2wj4 h ILE 272 Ca 0.43 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2wj4 h ILE 272 Cb 0.42 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2wj4 h ILE 272 CO -0.26 0.27 0.22 0.03 0.00 0.00 0.00 178.15 178.40 2wj4 h ARG 273 N 0.29 0.43 0.00 2.37 3.08 -1.05 -3.49 114.38 116.00 2wj4 h ARG 273 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2wj4 h ARG 273 Cb 0.36 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2wj4 h ARG 273 CO 0.01 0.28 0.00 1.04 -1.07 0.00 0.00 179.97 180.23