#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wm2 n GLY -1 N 0.00 2.73 0.65 -1.39 0.00 -1.26 -4.96 105.19 100.96 2wm2 n GLY -1 Ca 0.00 0.10 0.45 0.00 0.00 0.00 0.00 46.02 46.57 2wm2 n GLY -1 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wm2 h SER 0 N 0.00 0.00 0.00 1.61 0.02 -2.05 -3.45 113.55 109.68 2wm2 h SER 0 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wm2 h SER 0 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wm2 h SER 0 CO 0.00 0.00 0.00 0.80 -1.14 0.00 0.00 176.83 176.49 2wm2 n MET 1 N -3.74 0.00 -0.54 3.45 0.00 -1.26 -4.98 117.12 110.05 2wm2 n MET 1 Ca 0.37 0.00 0.44 0.00 0.00 0.00 0.00 57.70 58.51 2wm2 n MET 1 Cb 1.82 -1.41 0.71 0.00 0.00 0.00 0.00 33.22 34.34 2wm2 n MET 1 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2wm2 n THR 2 N -2.26 -0.16 0.27 1.12 -2.24 -1.26 -3.06 114.28 106.69 2wm2 n THR 2 Ca 0.00 1.66 0.08 0.00 -2.27 0.00 0.00 64.05 63.53 2wm2 n THR 2 Cb 0.00 -2.74 0.44 0.00 -2.10 0.00 0.00 70.33 65.93 2wm2 n THR 2 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2wm2 h ASP 3 N 0.00 0.00 0.51 3.42 3.58 -1.99 -1.17 116.42 120.76 2wm2 h ASP 3 Ca 0.88 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 58.12 2wm2 h ASP 3 Cb 3.09 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 44.14 2wm2 h ASP 3 CO -0.31 0.00 -0.92 0.74 -2.88 0.00 0.00 179.24 175.87 2wm2 h THR 4 N 0.00 1.47 0.00 2.25 2.02 -1.98 -3.15 112.91 113.51 2wm2 h THR 4 Ca 0.00 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.59 2wm2 h THR 4 Cb 1.02 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2wm2 h THR 4 CO 0.00 0.76 0.00 -1.22 0.37 0.00 0.00 175.52 175.43 2wm2 n TYR 5 N -3.68 0.00 -2.43 3.16 0.53 -0.44 -4.80 117.16 109.49 2wm2 n TYR 5 Ca -0.05 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.40 2wm2 n TYR 5 Cb 0.83 -0.09 -0.02 0.00 -1.03 0.00 0.00 39.34 39.03 2wm2 n TYR 5 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 2wm2 s LEU 6 N -2.18 4.20 0.31 7.72 2.96 -1.19 -2.30 118.68 128.19 2wm2 s LEU 6 Ca 0.32 1.71 0.08 0.00 -0.22 0.00 0.00 54.13 56.02 2wm2 s LEU 6 Cb 0.16 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.25 2wm2 s LEU 6 CO 0.31 -0.73 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.53 2wm2 s HIS 7 N 3.27 2.16 -0.00 5.38 3.76 -0.13 -4.98 115.29 124.75 2wm2 s HIS 7 Ca 0.55 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 2wm2 s HIS 7 Cb -0.22 -1.23 -0.01 0.00 1.11 0.00 0.00 32.58 32.23 2wm2 s HIS 7 CO 0.16 0.43 -0.10 -2.00 -0.85 0.00 0.00 174.74 172.37 2wm2 s GLU 8 N -3.67 0.81 0.13 1.40 2.12 -1.26 -1.28 118.70 116.94 2wm2 s GLU 8 Ca 0.31 -0.39 -0.12 0.00 0.36 0.00 0.00 54.97 55.13 2wm2 s GLU 8 Cb 0.03 -0.78 0.01 0.00 0.26 0.00 0.00 34.13 33.66 2wm2 s GLU 8 CO 0.14 0.21 0.32 -0.08 -0.54 0.00 0.00 175.26 175.31 2wm2 s THR 9 N -0.30 0.09 -0.20 -1.70 -1.32 -0.73 -5.01 115.64 106.47 2wm2 s THR 9 Ca 0.03 -0.97 -0.19 0.00 -1.21 0.00 0.00 61.69 59.36 2wm2 s THR 9 Cb -0.04 -1.40 -0.03 0.00 -1.51 0.00 0.00 72.50 69.52 2wm2 s THR 9 CO -0.00 -0.41 0.54 -0.22 -2.21 0.00 0.00 174.62 172.32 2wm2 s LEU 10 N -2.86 4.14 -0.29 9.08 2.96 -1.26 -1.33 118.68 129.11 2wm2 s LEU 10 Ca 0.07 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.71 2wm2 s LEU 10 Cb 0.03 -2.74 0.08 0.00 0.50 0.00 0.00 46.19 44.05 2wm2 s LEU 10 CO -0.08 -0.21 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.03 2wm2 s VAL 11 N 1.74 2.07 0.00 1.68 1.01 0.79 -4.98 120.40 122.71 2wm2 s VAL 11 Ca 0.25 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.35 2wm2 s VAL 11 Cb -0.15 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2wm2 s VAL 11 CO 0.10 -0.32 0.00 0.49 0.00 0.00 0.00 175.10 175.37 2wm2 n PHE 12 N 4.41 0.00 -0.03 5.22 3.72 -1.26 -1.37 117.46 128.15 2wm2 n PHE 12 Ca -0.05 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.20 2wm2 n PHE 12 Cb 0.42 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.86 2wm2 n PHE 12 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2wm2 h ASP 13 N 0.00 0.28 -3.15 4.37 3.32 -2.02 -3.48 116.42 115.74 2wm2 h ASP 13 Ca 0.00 -0.67 -0.58 0.00 0.02 0.00 0.00 57.03 55.79 2wm2 h ASP 13 Cb 0.00 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2wm2 h ASP 13 CO 0.00 0.91 -0.22 0.20 -1.72 0.00 0.00 179.24 178.41 2wm2 s ASN 14 N -6.26 6.66 -0.22 6.45 -0.87 -0.47 -5.06 114.94 115.17 2wm2 s ASN 14 Ca -0.15 0.82 -0.27 0.00 -1.57 0.00 0.00 52.86 51.69 2wm2 s ASN 14 Cb 0.02 -2.19 -0.00 0.00 -0.02 0.00 0.00 41.25 39.06 2wm2 s ASN 14 CO 0.75 0.15 0.93 -0.54 -2.57 0.00 0.00 177.10 175.81 2wm2 s LYS 15 N -1.99 4.25 -0.05 -0.60 1.02 -1.26 -0.15 119.74 120.96 2wm2 s LYS 15 Ca 0.35 1.16 0.06 0.00 0.02 0.00 0.00 55.97 57.55 2wm2 s LYS 15 Cb -0.14 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2wm2 s LYS 15 CO 0.19 -0.53 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.36 2wm2 s LEU 16 N 2.84 2.25 0.39 3.17 1.43 -0.44 -4.85 118.68 123.47 2wm2 s LEU 16 Ca 0.40 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2wm2 s LEU 16 Cb -0.16 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2wm2 s LEU 16 CO 0.08 0.28 0.66 -0.94 0.23 0.00 0.00 176.35 176.66 2wm2 s SER 17 N -0.35 6.34 -0.10 2.29 1.04 -1.26 -1.78 113.70 119.88 2wm2 s SER 17 Ca 0.02 0.77 -0.30 0.00 0.48 0.00 0.00 55.95 56.92 2wm2 s SER 17 Cb -0.12 -2.17 0.09 0.00 0.10 0.00 0.00 66.02 63.92 2wm2 s SER 17 CO 0.02 -0.39 0.81 -0.72 0.98 0.00 0.00 173.24 173.94 2wm2 s TYR 18 N -2.42 -0.55 0.32 5.02 1.13 -0.40 -1.34 117.35 119.10 2wm2 s TYR 18 Ca 0.45 0.95 -0.18 0.00 -1.41 0.00 0.00 57.07 56.89 2wm2 s TYR 18 Cb -0.10 0.42 -0.09 0.00 -1.10 0.00 0.00 41.96 41.09 2wm2 s TYR 18 CO 0.37 -0.50 0.78 0.42 -2.51 0.00 0.00 175.55 174.12 2wm2 s ILE 19 N -1.11 4.58 -0.30 -3.49 -1.09 0.31 -0.96 121.20 119.14 2wm2 s ILE 19 Ca -0.07 1.16 -0.09 0.00 -2.23 0.00 0.00 60.65 59.42 2wm2 s ILE 19 Cb -0.00 -3.68 0.17 0.00 -1.58 0.00 0.00 42.46 37.37 2wm2 s ILE 19 CO 0.06 -0.11 0.85 -0.62 -1.23 0.00 0.00 174.94 173.90 2wm2 s ASP 20 N -2.09 -0.85 0.00 3.58 -1.08 -0.97 -2.07 116.67 113.18 2wm2 s ASP 20 Ca 0.53 0.73 0.28 0.00 -0.52 0.00 0.00 52.55 53.57 2wm2 s ASP 20 Cb -0.12 1.79 1.56 0.00 -1.46 0.00 0.00 42.92 44.69 2wm2 s ASP 20 CO 0.18 -0.16 2.02 -0.46 0.52 0.00 0.00 175.17 177.26 2wm2 n ASN 21 N 5.34 0.28 -0.51 -0.34 0.23 -1.16 -4.74 115.26 114.37 2wm2 n ASN 21 Ca -0.06 -1.20 -0.04 0.00 -0.53 0.00 0.00 54.58 52.75 2wm2 n ASN 21 Cb 0.52 -0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 38.20 2wm2 n ASN 21 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wm2 n GLN 22 N -0.73 -1.71 -1.68 -3.83 6.02 -1.26 -4.81 117.38 109.37 2wm2 n GLN 22 Ca 0.21 0.41 -0.49 0.00 -0.01 0.00 0.00 57.00 57.11 2wm2 n GLN 22 Cb 0.14 -4.21 -0.05 0.00 1.02 0.00 0.00 30.24 27.14 2wm2 n GLN 22 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2wm2 n ARG 23 N -0.34 2.05 -2.79 -1.09 3.00 -1.26 -4.88 116.66 111.35 2wm2 n ARG 23 Ca -0.04 0.75 -0.43 0.00 -0.00 0.00 0.00 57.85 58.13 2wm2 n ARG 23 Cb 0.30 -2.57 -0.04 0.00 0.00 0.00 0.00 32.46 30.15 2wm2 n ARG 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wm2 s ASP 24 N 3.79 6.54 0.30 6.15 -1.08 -1.26 -4.47 116.67 126.64 2wm2 s ASP 24 Ca 0.92 0.21 -0.19 0.00 -0.52 0.00 0.00 52.55 52.98 2wm2 s ASP 24 Cb -0.74 -2.47 0.06 0.00 -1.46 0.00 0.00 42.92 38.32 2wm2 s ASP 24 CO 0.52 -1.06 0.86 0.28 0.52 0.00 0.00 175.17 176.29 2wm2 s THR 25 N 3.83 0.00 0.36 1.71 -1.32 -1.26 -5.07 115.64 113.89 2wm2 s THR 25 Ca 0.39 -0.87 -0.27 0.00 -1.21 0.00 0.00 61.69 59.73 2wm2 s THR 25 Cb -0.10 -2.71 -0.09 0.00 -1.51 0.00 0.00 72.50 68.09 2wm2 s THR 25 CO 0.26 0.00 1.22 -1.81 -2.21 0.00 0.00 174.62 172.08 2wm2 s ASP 26 N -3.13 6.71 1.24 8.08 1.01 -1.26 -4.95 116.67 124.37 2wm2 s ASP 26 Ca 0.16 2.48 -0.16 0.00 0.71 0.00 0.00 52.55 55.74 2wm2 s ASP 26 Cb -0.04 -2.63 0.30 0.00 1.01 0.00 0.00 42.92 41.56 2wm2 s ASP 26 CO 0.09 -0.55 1.01 -0.83 0.21 0.00 0.00 175.17 175.09 2wm2 s GLY 27 N -0.83 1.51 0.64 0.21 0.00 -1.26 -4.82 107.32 102.77 2wm2 s GLY 27 Ca 0.52 -0.45 -0.08 0.00 0.00 0.00 0.00 44.72 44.71 2wm2 s GLY 27 CO 0.45 0.37 0.99 2.56 0.00 0.00 0.00 173.10 177.46 2wm2 s PRO 28 N -4.77 2.86 0.43 2.90 0.04 -1.26 -4.86 135.00 130.34 2wm2 s PRO 28 Ca 0.68 0.17 -0.23 0.00 0.04 0.00 0.00 61.00 61.66 2wm2 s PRO 28 Cb -0.20 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 2wm2 s PRO 28 CO 0.61 -0.86 1.13 0.00 0.04 0.00 0.00 177.00 177.92 2wm2 s ALA 29 N -3.15 3.03 -0.30 8.56 0.00 -0.69 -4.64 121.76 124.57 2wm2 s ALA 29 Ca 0.56 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 53.25 2wm2 s ALA 29 Cb -0.11 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2wm2 s ALA 29 CO 0.48 -0.51 0.29 0.42 0.00 0.00 0.00 175.76 176.44 2wm2 s ILE 30 N -1.56 5.23 -0.47 0.00 1.01 -0.56 0.16 121.20 125.00 2wm2 s ILE 30 Ca 0.61 0.22 -0.15 0.00 0.00 0.00 0.00 60.65 61.33 2wm2 s ILE 30 Cb -0.27 -3.67 0.08 0.00 0.01 0.00 0.00 42.46 38.61 2wm2 s ILE 30 CO 0.33 0.11 0.39 -0.22 0.00 0.00 0.00 174.94 175.55 2wm2 s LEU 31 N 1.92 5.65 -0.52 2.97 2.96 -0.38 -1.56 118.68 129.71 2wm2 s LEU 31 Ca 0.11 -1.42 -0.22 0.00 -0.22 0.00 0.00 54.13 52.38 2wm2 s LEU 31 Cb -0.16 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.41 2wm2 s LEU 31 CO 0.11 -0.66 0.80 -0.76 -1.32 0.00 0.00 176.35 174.52 2wm2 s LEU 32 N 1.61 4.44 -0.21 -0.68 1.43 -0.19 0.28 118.68 125.37 2wm2 s LEU 32 Ca 0.04 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.43 2wm2 s LEU 32 Cb -0.25 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 2wm2 s LEU 32 CO 0.06 -1.07 0.43 -0.76 0.23 0.00 0.00 176.35 175.24 2wm2 s LEU 33 N 3.38 4.14 0.65 1.79 1.43 0.23 -4.11 118.68 126.19 2wm2 s LEU 33 Ca 0.24 0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 2wm2 s LEU 33 Cb -0.15 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2wm2 s LEU 33 CO 0.17 -0.12 1.05 -2.84 0.23 0.00 0.00 176.35 174.84 2wm2 s PRO 34 N 1.47 3.30 0.00 1.29 0.02 -1.26 -2.67 135.00 137.15 2wm2 s PRO 34 Ca 0.20 0.62 0.00 0.00 0.02 0.00 0.00 61.00 61.85 2wm2 s PRO 34 Cb -0.15 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2wm2 s PRO 34 CO 0.09 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 2wm2 n GLY 35 N -2.85 -0.79 3.78 0.52 0.00 -1.24 -4.30 105.19 100.31 2wm2 n GLY 35 Ca 0.06 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 2wm2 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wm2 s TRP 36 N -0.11 3.73 -1.49 1.61 0.52 -1.26 -4.22 118.94 117.72 2wm2 s TRP 36 Ca 0.00 1.76 -0.07 0.00 0.02 0.00 0.00 56.10 57.82 2wm2 s TRP 36 Cb 0.00 -2.90 0.02 0.00 -1.15 0.00 0.00 33.47 29.44 2wm2 s TRP 36 CO 0.00 0.26 0.71 0.00 0.02 0.00 0.00 176.95 177.94 2wm2 s HIS 38 N -3.18 0.27 0.17 0.00 -3.43 -1.26 -4.84 115.29 103.02 2wm2 s HIS 38 Ca 0.39 -0.82 0.03 0.00 -0.80 0.00 0.00 55.06 53.86 2wm2 s HIS 38 Cb -0.18 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 31.58 2wm2 s HIS 38 CO 0.48 -1.42 0.11 -0.40 -2.00 0.00 0.00 174.74 171.51 2wm2 n ASP 39 N -1.24 0.19 -0.65 7.38 5.68 -1.26 -4.76 116.55 121.89 2wm2 n ASP 39 Ca -0.06 -2.04 0.50 0.00 -0.50 0.00 0.00 54.79 52.70 2wm2 n ASP 39 Cb 0.60 0.68 0.81 0.00 -1.14 0.00 0.00 41.12 42.07 2wm2 n ASP 39 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2wm2 h HIS 40 N 1.44 0.02 -0.21 2.11 2.07 -1.89 -1.02 115.15 117.66 2wm2 h HIS 40 Ca -0.13 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2wm2 h HIS 40 Cb 0.57 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 30.54 2wm2 h HIS 40 CO 0.00 -0.01 0.17 0.00 -3.07 0.00 0.00 177.93 175.02 2wm2 h ARG 41 N 0.00 0.00 -0.15 5.12 3.08 -1.99 0.11 114.38 120.55 2wm2 h ARG 41 Ca 0.89 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.98 2wm2 h ARG 41 Cb 3.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 33.58 2wm2 h ARG 41 CO -0.03 0.00 0.19 -0.24 -1.07 0.00 0.00 179.97 178.83 2wm2 h VAL 42 N 0.00 0.39 -0.60 2.04 3.04 -1.59 -2.57 116.25 116.96 2wm2 h VAL 42 Ca 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 2wm2 h VAL 42 Cb 0.43 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2wm2 h VAL 42 CO -0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 2wm2 n TYR 43 N -3.67 0.93 -0.01 3.17 0.53 0.38 -4.37 117.16 114.12 2wm2 n TYR 43 Ca 0.01 -0.54 -0.02 0.00 -1.02 0.00 0.00 57.90 56.34 2wm2 n TYR 43 Cb 0.31 -0.06 0.25 0.00 -1.03 0.00 0.00 39.34 38.80 2wm2 n TYR 43 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 2wm2 h LYS 44 N 3.54 0.56 -0.01 -0.72 2.10 -1.51 0.34 116.57 120.87 2wm2 h LYS 44 Ca 0.00 -0.15 -0.22 0.00 -2.00 0.00 0.00 60.65 58.29 2wm2 h LYS 44 Cb 1.02 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2wm2 h LYS 44 CO 0.05 0.63 -0.91 1.88 -2.00 0.00 0.00 179.45 179.11 2wm2 h TYR 45 N 0.52 0.58 -0.28 0.07 -1.99 -1.83 -2.91 116.97 111.13 2wm2 h TYR 45 Ca 0.10 -0.31 -0.16 0.00 2.00 0.00 0.00 58.73 60.37 2wm2 h TYR 45 Cb 0.44 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 2wm2 h TYR 45 CO 0.02 1.12 -0.45 1.25 -0.00 0.00 0.00 178.16 180.09 2wm2 h LEU 46 N 0.23 0.89 -0.80 3.88 5.85 -1.46 -2.94 115.31 120.96 2wm2 h LEU 46 Ca -0.07 -0.52 0.10 0.00 0.84 0.00 0.00 57.88 58.24 2wm2 h LEU 46 Cb 1.53 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 2wm2 h LEU 46 CO 0.16 1.23 0.44 0.40 -0.34 0.00 0.00 178.44 180.33 2wm2 h ILE 47 N 0.57 0.86 -0.92 4.05 2.04 -0.42 -1.45 117.51 122.23 2wm2 h ILE 47 Ca 0.02 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.72 2wm2 h ILE 47 Cb 1.05 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2wm2 h ILE 47 CO 0.10 0.13 0.60 1.56 0.00 0.00 0.00 178.15 180.54 2wm2 h GLN 48 N 0.71 0.96 0.00 2.37 4.20 -1.35 0.14 115.11 122.15 2wm2 h GLN 48 Ca 0.40 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.95 2wm2 h GLN 48 Cb 0.42 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2wm2 h GLN 48 CO -0.28 0.64 -0.48 0.93 -0.67 0.00 0.00 178.83 178.97 2wm2 h GLU 49 N 0.99 0.00 -0.01 1.46 4.39 -1.11 -3.31 114.58 117.00 2wm2 h GLU 49 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2wm2 h GLU 49 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2wm2 h GLU 49 CO -0.17 0.48 -0.34 1.28 -1.16 0.00 0.00 179.01 179.10 2wm2 n LEU 50 N -3.84 1.14 0.04 1.33 4.77 -0.87 -4.80 117.00 114.77 2wm2 n LEU 50 Ca -0.01 -0.69 -0.11 0.00 -0.03 0.00 0.00 56.01 55.17 2wm2 n LEU 50 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2wm2 n LEU 50 CO 0.40 0.23 0.77 -0.78 -1.33 0.00 0.00 177.39 176.68 2wm2 h ASP 51 N 0.98 -0.43 -0.37 -1.43 3.58 -0.83 -2.22 116.42 115.71 2wm2 h ASP 51 Ca 0.00 0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 2wm2 h ASP 51 Cb 0.38 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 2wm2 h ASP 51 CO 0.00 -0.20 -0.09 0.00 -2.88 0.00 0.00 179.24 176.07 2wm2 h ALA 52 N 0.75 0.51 0.00 -0.78 0.00 -1.86 -3.32 119.26 114.57 2wm2 h ALA 52 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wm2 h ALA 52 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wm2 h ALA 52 CO -0.17 0.37 -0.99 -0.25 0.00 0.00 0.00 179.25 178.21 2wm2 n ASP 53 N -4.37 0.63 -4.12 0.00 8.00 -1.18 -4.94 116.55 110.56 2wm2 n ASP 53 Ca -0.02 -0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 2wm2 n ASP 53 Cb 0.35 0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 42.04 2wm2 n ASP 53 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wm2 s PHE 54 N -3.22 0.80 -0.22 1.24 0.08 -0.84 -4.86 117.98 110.94 2wm2 s PHE 54 Ca 0.03 -0.69 -0.27 0.00 0.12 0.00 0.00 56.93 56.12 2wm2 s PHE 54 Cb 0.14 -0.47 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 2wm2 s PHE 54 CO 0.79 -0.11 0.95 0.50 -0.10 0.00 0.00 175.22 177.26 2wm2 s ARG 55 N -2.63 4.24 -0.17 0.44 3.52 -1.26 -4.63 118.95 118.46 2wm2 s ARG 55 Ca 0.00 1.20 -0.02 0.00 -0.13 0.00 0.00 55.73 56.78 2wm2 s ARG 55 Cb -0.03 -3.63 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 2wm2 s ARG 55 CO -0.02 -0.56 -0.08 0.08 -0.81 0.00 0.00 175.30 173.91 2wm2 s VAL 56 N 2.96 3.29 -0.06 7.11 1.01 -1.26 -1.49 120.40 131.95 2wm2 s VAL 56 Ca 0.41 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2wm2 s VAL 56 Cb -0.15 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2wm2 s VAL 56 CO 0.07 0.48 -0.23 -0.63 0.00 0.00 0.00 175.10 174.79 2wm2 s ILE 57 N 0.87 1.89 -0.31 2.22 -1.09 -0.60 -2.97 121.20 121.21 2wm2 s ILE 57 Ca -0.02 -0.96 -0.01 0.00 -2.23 0.00 0.00 60.65 57.43 2wm2 s ILE 57 Cb -0.15 -1.61 0.10 0.00 -1.58 0.00 0.00 42.46 39.22 2wm2 s ILE 57 CO 0.01 0.53 0.10 -0.69 -1.23 0.00 0.00 174.94 173.65 2wm2 s VAL 58 N 0.01 0.90 0.13 2.92 1.01 -0.88 -1.02 120.40 123.47 2wm2 s VAL 58 Ca -0.07 -1.43 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 2wm2 s VAL 58 Cb -0.14 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2wm2 s VAL 58 CO 0.04 -0.68 0.96 -2.16 0.00 0.00 0.00 175.10 173.26 2wm2 s PRO 59 N 1.59 4.72 0.15 2.72 0.04 -1.26 -0.53 135.00 142.42 2wm2 s PRO 59 Ca 0.10 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 2wm2 s PRO 59 Cb -0.17 -3.37 -0.07 0.00 0.04 0.00 0.00 34.50 30.93 2wm2 s PRO 59 CO -0.25 0.25 0.59 -0.80 0.04 0.00 0.00 177.00 176.83 2wm2 s ASN 60 N -0.14 6.90 0.95 6.66 0.01 -0.45 -4.44 114.94 124.44 2wm2 s ASN 60 Ca 0.46 1.17 -0.14 0.00 -0.71 0.00 0.00 52.86 53.64 2wm2 s ASN 60 Cb -0.24 -2.32 0.21 0.00 0.41 0.00 0.00 41.25 39.31 2wm2 s ASN 60 CO 0.30 0.11 1.30 0.26 -1.51 0.00 0.00 177.10 177.57 2wm2 s TRP 61 N -1.43 1.41 0.08 2.20 0.52 -1.26 -4.55 118.94 115.91 2wm2 s TRP 61 Ca 0.37 0.18 -0.31 0.00 0.02 0.00 0.00 56.10 56.37 2wm2 s TRP 61 Cb -0.16 -4.05 -0.07 0.00 -1.15 0.00 0.00 33.47 28.04 2wm2 s TRP 61 CO 0.19 -2.64 1.45 1.03 0.02 0.00 0.00 176.95 177.00 2wm2 s ARG 62 N -5.84 4.28 -0.59 4.98 0.52 -1.26 -1.83 118.95 119.22 2wm2 s ARG 62 Ca 0.75 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 58.06 2wm2 s ARG 62 Cb -0.03 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 32.04 2wm2 s ARG 62 CO 0.52 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.71 2wm2 n GLY 63 N 3.64 0.81 3.37 -3.53 0.00 -1.26 -4.96 105.19 103.26 2wm2 n GLY 63 Ca 0.13 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2wm2 n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wm2 s HIS 64 N -2.20 2.40 -5.00 1.61 3.76 -0.76 -3.49 115.29 111.61 2wm2 s HIS 64 Ca 0.00 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 2wm2 s HIS 64 Cb 0.00 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.25 2wm2 s HIS 64 CO 0.00 0.13 0.00 0.41 -0.85 0.00 0.00 174.74 174.43 2wm2 n GLY 65 N 1.88 -0.20 0.31 -2.22 0.00 -1.26 -4.58 105.19 99.12 2wm2 n GLY 65 Ca -0.17 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.34 2wm2 n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wm2 h LEU 66 N 0.00 0.10 -7.21 0.99 3.38 -1.98 -3.25 115.31 107.33 2wm2 h LEU 66 Ca 0.00 -0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2wm2 h LEU 66 Cb 0.00 -0.02 -0.41 0.00 0.09 0.00 0.00 40.66 40.32 2wm2 h LEU 66 CO 0.00 0.07 -0.68 -0.55 0.09 0.00 0.00 178.44 177.37 2wm2 s SER 67 N -6.69 4.03 0.31 -0.43 0.15 -1.26 -5.06 113.70 104.76 2wm2 s SER 67 Ca -0.06 -2.83 -0.29 0.00 0.70 0.00 0.00 55.95 53.48 2wm2 s SER 67 Cb 0.18 -1.37 -0.10 0.00 -1.71 0.00 0.00 66.02 63.02 2wm2 s SER 67 CO 0.70 -0.25 1.31 -2.84 1.20 0.00 0.00 173.24 173.37 2wm2 s PRO 68 N 0.02 4.36 0.03 5.44 0.02 -1.23 -4.86 135.00 138.77 2wm2 s PRO 68 Ca 0.17 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.40 2wm2 s PRO 68 Cb -0.25 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.16 2wm2 s PRO 68 CO -0.00 -0.20 -0.05 -1.54 -0.33 0.00 0.00 177.00 174.88 2wm2 s SER 69 N -0.37 0.49 0.35 2.53 1.04 -1.23 -5.03 113.70 111.49 2wm2 s SER 69 Ca 0.50 -0.48 -0.27 0.00 0.48 0.00 0.00 55.95 56.18 2wm2 s SER 69 Cb -0.40 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 65.69 2wm2 s SER 69 CO 0.51 -0.23 1.20 -1.61 0.98 0.00 0.00 173.24 174.09 2wm2 s GLU 70 N -1.38 4.27 0.16 4.02 2.02 -1.26 -4.29 118.70 122.24 2wm2 s GLU 70 Ca -0.12 1.95 -0.09 0.00 0.02 0.00 0.00 54.97 56.73 2wm2 s GLU 70 Cb -0.09 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 2wm2 s GLU 70 CO -0.00 -0.16 0.27 0.14 0.02 0.00 0.00 175.26 175.53 2wm2 s VAL 71 N -1.27 0.07 0.64 2.63 -7.23 -1.26 -4.99 120.40 108.99 2wm2 s VAL 71 Ca 0.52 -1.40 -0.16 0.00 -1.81 0.00 0.00 61.98 59.13 2wm2 s VAL 71 Cb -0.34 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 2wm2 s VAL 71 CO 0.44 -0.31 1.14 -2.16 -0.31 0.00 0.00 175.10 173.90 2wm2 s PRO 72 N -3.97 2.81 0.53 4.82 0.04 -1.26 -4.95 135.00 133.03 2wm2 s PRO 72 Ca 0.17 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 2wm2 s PRO 72 Cb 0.03 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2wm2 s PRO 72 CO -0.00 -1.26 1.38 0.34 0.04 0.00 0.00 177.00 177.50 2wm2 s ASP 73 N -2.24 5.32 0.30 6.66 -1.08 -1.26 -5.03 116.67 119.34 2wm2 s ASP 73 Ca 0.70 2.82 -0.08 0.00 -0.52 0.00 0.00 52.55 55.48 2wm2 s ASP 73 Cb -0.23 -2.64 0.03 0.00 -1.46 0.00 0.00 42.92 38.62 2wm2 s ASP 73 CO 0.38 -1.54 0.53 2.22 0.52 0.00 0.00 175.17 177.29 2wm2 n PHE 74 N -0.91 -1.77 -3.00 -5.34 -1.74 -1.26 -5.16 117.46 98.28 2wm2 n PHE 74 Ca 0.10 -1.61 0.00 0.00 -0.56 0.00 0.00 57.45 55.38 2wm2 n PHE 74 Cb 0.44 0.62 0.00 0.00 1.52 0.00 0.00 39.48 42.06 2wm2 n PHE 74 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2wm2 n GLY 75 N -0.43 3.89 0.23 4.97 0.00 -1.26 -4.96 105.19 107.63 2wm2 n GLY 75 Ca -0.04 -1.25 0.09 0.00 0.00 0.00 0.00 46.02 44.82 2wm2 n GLY 75 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2wm2 h TYR 76 N 0.39 0.00 -0.40 1.61 -0.00 -1.96 -2.30 116.97 114.31 2wm2 h TYR 76 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.64 2wm2 h TYR 76 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.71 2wm2 h TYR 76 CO 0.00 0.21 -0.12 1.96 -0.00 0.00 0.00 178.16 180.21 2wm2 h GLN 77 N 0.00 0.71 -0.28 0.10 7.50 -1.97 -1.71 115.11 119.47 2wm2 h GLN 77 Ca -0.00 -0.23 -0.19 0.00 0.50 0.00 0.00 58.65 58.73 2wm2 h GLN 77 Cb 0.51 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.98 2wm2 h GLN 77 CO 0.03 0.81 -0.55 0.93 -1.50 0.00 0.00 178.83 178.55 2wm2 h GLU 78 N 0.65 0.86 -0.82 1.46 3.07 -1.84 -2.91 114.58 115.06 2wm2 h GLU 78 Ca 0.11 -0.55 0.07 0.00 -0.50 0.00 0.00 59.36 58.49 2wm2 h GLU 78 Cb 0.58 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.49 2wm2 h GLU 78 CO 0.04 1.18 0.48 1.96 -1.40 0.00 0.00 179.01 181.28 2wm2 h GLN 79 N 0.66 0.83 0.78 2.33 4.20 -1.23 -0.07 115.11 122.62 2wm2 h GLN 79 Ca 0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2wm2 h GLN 79 Cb 1.16 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 2wm2 h GLN 79 CO 0.12 0.55 -0.50 0.28 -0.67 0.00 0.00 178.83 178.61 2wm2 h VAL 80 N 0.85 0.00 -0.65 -0.54 2.07 -1.27 -0.72 116.25 115.99 2wm2 h VAL 80 Ca 0.37 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.02 2wm2 h VAL 80 Cb 0.25 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 2wm2 h VAL 80 CO -0.20 0.00 0.14 0.11 0.02 0.00 0.00 177.57 177.63 2wm2 h LYS 81 N -1.20 0.25 -0.97 1.57 1.57 -1.34 -0.42 116.57 116.02 2wm2 h LYS 81 Ca -0.10 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2wm2 h LYS 81 Cb 0.97 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 2wm2 h LYS 81 CO 0.10 0.17 0.63 -0.44 -0.57 0.00 0.00 179.45 179.34 2wm2 h ASP 82 N 0.26 1.03 -0.19 0.86 3.32 -0.88 -0.30 116.42 120.52 2wm2 h ASP 82 Ca 0.35 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.33 2wm2 h ASP 82 Cb 0.55 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2wm2 h ASP 82 CO -0.45 0.68 -0.13 0.00 -1.72 0.00 0.00 179.24 177.62 2wm2 h ALA 83 N 1.45 0.27 -0.58 3.45 0.00 0.41 -2.78 119.26 121.48 2wm2 h ALA 83 Ca 0.40 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2wm2 h ALA 83 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2wm2 h ALA 83 CO -0.14 0.14 0.18 -0.07 0.00 0.00 0.00 179.25 179.35 2wm2 h LEU 84 N 0.09 0.80 -0.70 0.00 3.38 -0.91 -1.14 115.31 116.83 2wm2 h LEU 84 Ca 0.04 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2wm2 h LEU 84 Cb 0.64 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2wm2 h LEU 84 CO 0.04 0.76 0.23 -0.08 0.09 0.00 0.00 178.44 179.47 2wm2 h GLU 85 N 0.84 1.09 -0.40 1.13 4.57 -1.01 0.41 114.58 121.21 2wm2 h GLU 85 Ca 0.19 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2wm2 h GLU 85 Cb 0.25 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2wm2 h GLU 85 CO -0.01 0.93 0.22 0.82 -1.18 0.00 0.00 179.01 179.80 2wm2 h ILE 86 N 1.03 1.15 -0.32 2.32 2.04 -1.22 -1.99 117.51 120.52 2wm2 h ILE 86 Ca 0.23 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2wm2 h ILE 86 Cb 0.29 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2wm2 h ILE 86 CO -0.01 0.15 0.06 -0.07 0.00 0.00 0.00 178.15 178.28 2wm2 h LEU 87 N 0.52 0.44 0.56 1.44 3.38 -0.56 -1.16 115.31 119.92 2wm2 h LEU 87 Ca 0.14 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2wm2 h LEU 87 Cb 0.05 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.69 2wm2 h LEU 87 CO -0.02 0.46 -0.27 0.44 0.09 0.00 0.00 178.44 179.14 2wm2 h ASP 88 N 0.47 -0.64 -0.97 -0.43 3.32 -0.82 -0.83 116.42 116.53 2wm2 h ASP 88 Ca 0.11 0.02 0.32 0.00 0.02 0.00 0.00 57.03 57.50 2wm2 h ASP 88 Cb 0.22 0.16 -0.16 0.00 0.22 0.00 0.00 39.33 39.78 2wm2 h ASP 88 CO -0.00 -0.29 0.43 1.56 -1.72 0.00 0.00 179.24 179.22 2wm2 h GLN 89 N -1.08 0.19 -0.00 3.56 4.20 -1.20 1.50 115.11 122.28 2wm2 h GLN 89 Ca -0.08 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2wm2 h GLN 89 Cb 0.58 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2wm2 h GLN 89 CO 0.13 0.13 -0.01 1.28 -0.67 0.00 0.00 178.83 179.68 2wm2 n LEU 90 N -5.18 0.15 -3.34 1.46 4.77 -0.45 -4.92 117.00 109.48 2wm2 n LEU 90 Ca 0.30 0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 56.06 2wm2 n LEU 90 Cb 0.95 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 42.03 2wm2 n LEU 90 CO 0.05 0.03 0.11 0.61 -1.33 0.00 0.00 177.39 176.86 2wm2 n GLY 91 N 1.09 -0.53 3.81 -0.72 0.00 0.51 -4.98 105.19 104.36 2wm2 n GLY 91 Ca 0.21 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 2wm2 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wm2 s VAL 92 N -3.24 5.37 -0.02 1.61 1.01 -0.35 -5.02 120.40 119.75 2wm2 s VAL 92 Ca 0.45 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 2wm2 s VAL 92 Cb -0.20 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2wm2 s VAL 92 CO 0.56 0.52 -0.04 1.21 0.00 0.00 0.00 175.10 177.35 2wm2 n GLU 93 N 2.66 0.06 -3.73 2.72 4.07 -1.26 -4.60 120.64 120.56 2wm2 n GLU 93 Ca -0.16 0.03 -0.35 0.00 -0.06 0.00 0.00 57.16 56.61 2wm2 n GLU 93 Cb 0.53 -0.50 -0.08 0.00 -0.06 0.00 0.00 31.44 31.33 2wm2 n GLU 93 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2wm2 s THR 94 N -1.27 5.41 0.05 6.31 -1.32 -1.26 -4.77 115.64 118.78 2wm2 s THR 94 Ca -0.03 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 2wm2 s THR 94 Cb 0.00 -3.47 -0.03 0.00 -1.51 0.00 0.00 72.50 67.49 2wm2 s THR 94 CO 0.05 0.44 -0.04 0.72 -2.21 0.00 0.00 174.62 173.58 2wm2 s PHE 95 N 0.35 0.50 -0.41 9.09 -0.12 -0.76 -1.70 117.98 124.93 2wm2 s PHE 95 Ca 0.08 -0.79 -0.08 0.00 -0.05 0.00 0.00 56.93 56.09 2wm2 s PHE 95 Cb -0.11 -0.34 0.08 0.00 -0.63 0.00 0.00 43.02 42.02 2wm2 s PHE 95 CO -0.02 -0.25 0.24 -1.17 -0.05 0.00 0.00 175.22 173.98 2wm2 s LEU 96 N -2.27 5.13 0.21 -1.99 2.96 0.42 -4.35 118.68 118.79 2wm2 s LEU 96 Ca -0.02 -1.57 -0.30 0.00 -0.22 0.00 0.00 54.13 52.02 2wm2 s LEU 96 Cb -0.01 -1.96 -0.08 0.00 0.50 0.00 0.00 46.19 44.64 2wm2 s LEU 96 CO -0.05 -0.53 1.03 -2.16 -1.32 0.00 0.00 176.35 173.32 2wm2 s PRO 97 N 1.38 4.69 -0.10 0.98 0.04 -1.26 -1.24 135.00 139.49 2wm2 s PRO 97 Ca 0.03 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2wm2 s PRO 97 Cb -0.23 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.07 2wm2 s PRO 97 CO 0.01 0.25 -0.03 0.08 0.04 0.00 0.00 177.00 177.35 2wm2 s VAL 98 N -0.69 0.71 0.09 -0.36 1.01 0.14 -1.85 120.40 119.46 2wm2 s VAL 98 Ca 0.45 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.36 2wm2 s VAL 98 Cb -0.28 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2wm2 s VAL 98 CO 0.35 0.28 -0.02 -0.94 0.00 0.00 0.00 175.10 174.77 2wm2 s SER 99 N 1.83 4.92 -0.19 3.32 1.04 -0.51 -0.60 113.70 123.51 2wm2 s SER 99 Ca 0.04 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 2wm2 s SER 99 Cb -0.13 -1.14 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 2wm2 s SER 99 CO -0.07 0.18 0.08 -2.28 0.98 0.00 0.00 173.24 172.13 2wm2 s HIS 100 N -1.30 3.27 0.00 5.02 2.46 -1.09 0.13 115.29 123.79 2wm2 s HIS 100 Ca 0.25 0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.88 2wm2 s HIS 100 Cb -0.12 -2.11 0.00 0.00 -0.13 0.00 0.00 32.58 30.22 2wm2 s HIS 100 CO 0.18 0.14 0.00 0.45 -2.47 0.00 0.00 174.74 173.04 2wm2 n SER 101 N 3.65 0.00 0.00 9.88 2.88 0.36 -1.32 113.62 129.07 2wm2 n SER 101 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2wm2 n SER 101 Cb 0.52 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.99 2wm2 n SER 101 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2wm2 n HIS 102 N 14.00 0.00 0.50 0.66 -0.00 -1.26 -1.03 115.22 128.09 2wm2 n HIS 102 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 2wm2 n HIS 102 Cb 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 30.28 2wm2 n HIS 102 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wm2 n GLY 103 N 0.41 -0.83 0.21 -1.41 0.00 -0.44 -3.35 105.19 99.78 2wm2 n GLY 103 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.04 2wm2 n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wm2 h GLY 104 N 2.11 0.00 1.01 -0.02 0.00 -1.25 -1.37 103.07 103.55 2wm2 h GLY 104 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2wm2 h GLY 104 CO 0.00 0.00 0.27 1.49 0.00 0.00 0.00 176.54 178.30 2wm2 h TRP 105 N 0.00 1.01 -0.10 5.60 4.06 -1.81 -0.68 115.95 124.02 2wm2 h TRP 105 Ca -0.00 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 60.87 2wm2 h TRP 105 Cb 0.67 -0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2wm2 h TRP 105 CO 0.00 0.79 0.06 0.28 -3.56 0.00 0.00 178.44 176.01 2wm2 h VAL 106 N 0.94 1.09 -0.92 1.49 2.07 -1.67 -2.51 116.25 116.74 2wm2 h VAL 106 Ca 0.22 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2wm2 h VAL 106 Cb 0.21 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2wm2 h VAL 106 CO -0.02 0.08 0.59 0.25 0.02 0.00 0.00 177.57 178.49 2wm2 h LEU 107 N 0.07 1.06 -0.20 2.57 6.46 -0.99 0.19 115.31 124.48 2wm2 h LEU 107 Ca 0.04 -0.04 -0.17 0.00 -0.12 0.00 0.00 57.88 57.59 2wm2 h LEU 107 Cb 0.08 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 2wm2 h LEU 107 CO -0.01 0.78 -0.79 0.58 -0.62 0.00 0.00 178.44 178.39 2wm2 h VAL 108 N 1.25 1.44 0.00 1.05 2.07 -1.12 -0.76 116.25 120.19 2wm2 h VAL 108 Ca 0.33 -2.83 -0.13 0.00 0.82 0.00 0.00 66.70 64.89 2wm2 h VAL 108 Cb -0.12 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 2wm2 h VAL 108 CO -0.07 0.78 -0.71 -0.08 0.02 0.00 0.00 177.57 177.51 2wm2 h GLU 109 N 0.00 0.00 -0.25 1.57 4.57 -1.32 -3.14 114.58 116.01 2wm2 h GLU 109 Ca -0.01 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 2wm2 h GLU 109 Cb 1.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.10 2wm2 h GLU 109 CO 0.10 0.57 -0.16 1.25 -1.18 0.00 0.00 179.01 179.60 2wm2 h LEU 110 N 0.00 0.57 -0.88 1.64 5.85 -0.38 -1.83 115.31 120.29 2wm2 h LEU 110 Ca -0.03 -0.43 0.12 0.00 0.84 0.00 0.00 57.88 58.38 2wm2 h LEU 110 Cb 1.49 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 2wm2 h LEU 110 CO 0.08 0.88 0.50 -0.07 -0.34 0.00 0.00 178.44 179.49 2wm2 h LEU 111 N 0.27 0.70 0.12 2.25 3.38 -1.24 -1.00 115.31 119.79 2wm2 h LEU 111 Ca 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2wm2 h LEU 111 Cb 0.68 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wm2 h LEU 111 CO 0.04 0.37 -0.06 -0.08 0.09 0.00 0.00 178.44 178.80 2wm2 h GLU 112 N 0.80 -0.15 0.03 1.13 4.57 -1.45 -1.31 114.58 118.19 2wm2 h GLU 112 Ca 0.44 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.63 2wm2 h GLU 112 Cb 0.48 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2wm2 h GLU 112 CO -0.28 0.14 -0.01 1.96 -1.18 0.00 0.00 179.01 179.63 2wm2 h GLN 113 N -0.44 -0.03 0.00 1.92 1.08 -1.19 -3.22 115.11 113.23 2wm2 h GLN 113 Ca -0.02 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 2wm2 h GLN 113 Cb 0.36 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2wm2 h GLN 113 CO 0.03 0.45 -0.24 0.00 -0.95 0.00 0.00 178.83 178.12 2wm2 h ALA 114 N 0.41 1.06 -1.34 3.87 0.00 -1.30 -3.50 119.26 118.46 2wm2 h ALA 114 Ca -0.00 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.82 2wm2 h ALA 114 Cb 0.50 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2wm2 h ALA 114 CO 0.01 0.30 -0.45 0.41 0.00 0.00 0.00 179.25 179.52 2wm2 n GLY 115 N 0.02 -2.71 0.09 0.00 0.00 -0.49 -4.03 105.19 98.07 2wm2 n GLY 115 Ca -0.00 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.81 2wm2 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wm2 n PRO 116 N -3.00 0.14 0.11 1.61 -0.04 -1.26 -0.80 135.00 131.76 2wm2 n PRO 116 Ca -0.03 0.36 -0.23 0.00 -0.04 0.00 0.00 63.50 63.55 2wm2 n PRO 116 Cb 0.26 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2wm2 n PRO 116 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wm2 h GLU 117 N 0.00 0.45 0.11 0.54 5.08 -1.96 -3.04 114.58 115.76 2wm2 h GLU 117 Ca 0.00 -0.77 -0.01 0.00 -1.00 0.00 0.00 59.36 57.59 2wm2 h GLU 117 Cb 0.35 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2wm2 h GLU 117 CO 0.00 1.37 -0.05 0.00 -1.00 0.00 0.00 179.01 179.33 2wm2 h ARG 118 N -0.00 -0.14 -3.36 2.33 3.08 -1.59 -3.42 114.38 111.27 2wm2 h ARG 118 Ca -0.25 0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.16 2wm2 h ARG 118 Cb 2.02 0.03 -0.40 0.00 0.08 0.00 0.00 29.97 31.70 2wm2 h ARG 118 CO 0.22 0.35 -0.55 0.00 -1.07 0.00 0.00 179.97 178.92 2wm2 s ALA 119 N -3.30 3.48 -0.12 0.04 0.00 0.02 -1.83 121.76 120.05 2wm2 s ALA 119 Ca -0.12 -3.40 0.23 0.00 0.00 0.00 0.00 51.96 48.67 2wm2 s ALA 119 Cb -0.00 -2.28 0.61 0.00 0.00 0.00 0.00 23.12 21.45 2wm2 s ALA 119 CO 0.46 -2.06 1.69 -1.00 0.00 0.00 0.00 175.76 174.86 2wm2 h PRO 120 N 6.38 0.00 -4.18 0.00 0.13 -1.72 -3.35 132.00 129.26 2wm2 h PRO 120 Ca -0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.94 2wm2 h PRO 120 Cb 0.88 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.88 2wm2 h PRO 120 CO 0.70 0.18 -0.39 1.03 -0.23 0.00 0.00 178.00 179.30 2wm2 s ARG 121 N -3.35 1.39 -0.20 0.86 0.52 -1.26 -4.14 118.95 112.77 2wm2 s ARG 121 Ca 0.04 -1.48 -0.24 0.00 -0.52 0.00 0.00 55.73 53.52 2wm2 s ARG 121 Cb 0.08 0.36 0.06 0.00 0.52 0.00 0.00 34.95 35.97 2wm2 s ARG 121 CO 0.66 -0.52 0.65 0.20 0.02 0.00 0.00 175.30 176.31 2wm2 s GLY 122 N -3.11 -0.50 -0.15 -3.53 0.00 -0.97 -4.15 107.32 94.92 2wm2 s GLY 122 Ca 0.32 1.70 -0.00 0.00 0.00 0.00 0.00 44.72 46.73 2wm2 s GLY 122 CO 0.11 1.42 -0.13 -0.42 0.00 0.00 0.00 173.10 174.08 2wm2 s ILE 123 N -0.01 2.93 -0.13 0.90 1.01 -0.77 -2.14 121.20 122.99 2wm2 s ILE 123 Ca -0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2wm2 s ILE 123 Cb -0.04 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2wm2 s ILE 123 CO 0.03 0.51 -0.06 0.27 0.00 0.00 0.00 174.94 175.69 2wm2 s ILE 124 N 0.64 3.70 -0.14 2.92 -4.36 -0.56 -1.42 121.20 121.98 2wm2 s ILE 124 Ca -0.07 -0.44 -0.04 0.00 -0.26 0.00 0.00 60.65 59.84 2wm2 s ILE 124 Cb -0.16 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.93 2wm2 s ILE 124 CO 0.03 0.52 0.01 -0.04 0.24 0.00 0.00 174.94 175.70 2wm2 s MET 125 N 0.12 3.54 -0.48 0.37 -1.94 0.12 -1.75 119.30 119.28 2wm2 s MET 125 Ca -0.02 -0.42 -0.17 0.00 -1.71 0.00 0.00 55.69 53.37 2wm2 s MET 125 Cb -0.14 -2.98 0.03 0.00 2.01 0.00 0.00 34.83 33.75 2wm2 s MET 125 CO 0.03 0.42 0.49 -3.47 -0.01 0.00 0.00 175.02 172.48 2wm2 n ASP 126 N 3.03 -3.97 -3.80 3.03 -0.08 -0.09 -0.49 116.55 114.17 2wm2 n ASP 126 Ca -0.18 -0.42 -0.23 0.00 -1.51 0.00 0.00 54.79 52.46 2wm2 n ASP 126 Cb 0.53 -1.23 -0.17 0.00 2.34 0.00 0.00 41.12 42.59 2wm2 n ASP 126 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2wm2 s TRP 127 N -1.86 0.77 -0.34 -0.67 -0.00 -1.26 -3.09 118.94 112.50 2wm2 s TRP 127 Ca 0.17 -0.24 -0.27 0.00 -0.00 0.00 0.00 56.10 55.75 2wm2 s TRP 127 Cb -0.02 -0.84 -0.05 0.00 -0.00 0.00 0.00 33.47 32.57 2wm2 s TRP 127 CO 0.69 -0.33 2.19 -0.51 -0.00 0.00 0.00 176.95 178.98 2wm2 s LEU 128 N 1.82 3.43 0.40 5.86 1.43 -1.26 -4.84 118.68 125.52 2wm2 s LEU 128 Ca 0.03 1.48 0.21 0.00 -1.03 0.00 0.00 54.13 54.82 2wm2 s LEU 128 Cb -0.12 -3.16 0.73 0.00 0.03 0.00 0.00 46.19 43.66 2wm2 s LEU 128 CO -0.05 -2.22 1.75 0.24 0.23 0.00 0.00 176.35 176.30 2wm2 h MET 129 N 16.08 0.00 -6.54 1.70 2.86 -1.98 -3.43 114.93 123.61 2wm2 h MET 129 Ca -0.34 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 56.83 2wm2 h MET 129 Cb 1.23 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.91 2wm2 h MET 129 CO 1.04 0.29 -0.18 1.67 1.06 0.00 0.00 176.91 180.80 2wm2 s TRP 130 N -3.54 3.42 0.43 -0.22 -2.14 -1.26 -4.02 118.94 111.60 2wm2 s TRP 130 Ca 0.01 0.28 -0.25 0.00 2.66 0.00 0.00 56.10 58.80 2wm2 s TRP 130 Cb 0.10 -1.99 -0.08 0.00 -3.10 0.00 0.00 33.47 28.40 2wm2 s TRP 130 CO 0.66 0.01 1.28 0.00 -2.66 0.00 0.00 176.95 176.24 2wm2 s ALA 131 N -2.36 3.16 -0.04 2.67 0.00 -1.26 -4.85 121.76 119.09 2wm2 s ALA 131 Ca 0.42 1.18 -0.37 0.00 0.00 0.00 0.00 51.96 53.19 2wm2 s ALA 131 Cb -0.10 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.40 2wm2 s ALA 131 CO 0.36 -0.84 1.62 -2.30 0.00 0.00 0.00 175.76 174.60 2wm2 n PRO 132 N -0.09 1.57 -1.47 0.00 -0.02 -1.26 -4.99 135.00 128.75 2wm2 n PRO 132 Ca 0.05 0.57 -0.31 0.00 -2.02 0.00 0.00 63.50 61.79 2wm2 n PRO 132 Cb 0.45 -2.30 0.07 0.00 -0.02 0.00 0.00 33.50 31.70 2wm2 n PRO 132 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wm2 s LYS 133 N 2.17 2.58 0.25 -0.52 -0.14 -1.26 -4.72 119.74 118.10 2wm2 s LYS 133 Ca 0.89 0.96 -0.03 0.00 -1.36 0.00 0.00 55.97 56.43 2wm2 s LYS 133 Cb -0.87 -1.95 0.49 0.00 -1.68 0.00 0.00 37.83 33.81 2wm2 s LYS 133 CO 0.51 -1.36 1.74 -1.35 -0.76 0.00 0.00 175.35 174.13 2wm2 h PRO 134 N -0.91 0.48 0.06 -1.68 0.11 -1.98 0.71 132.00 128.79 2wm2 h PRO 134 Ca -0.44 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.66 2wm2 h PRO 134 Cb 1.23 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2wm2 h PRO 134 CO 0.56 0.32 -0.20 -0.44 -0.21 0.00 0.00 178.00 178.02 2wm2 h ASP 135 N 0.49 -0.56 -0.46 -2.05 5.19 -1.99 0.23 116.42 117.27 2wm2 h ASP 135 Ca 0.43 0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 56.80 2wm2 h ASP 135 Cb 0.65 0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 2wm2 h ASP 135 CO -0.39 -0.27 -0.17 0.15 -3.12 0.00 0.00 179.24 175.43 2wm2 h PHE 136 N -0.35 1.06 -0.62 4.55 3.57 -1.83 -2.28 116.94 121.04 2wm2 h PHE 136 Ca 0.04 -0.25 0.05 0.00 3.53 0.00 0.00 57.97 61.34 2wm2 h PHE 136 Cb 0.40 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 2wm2 h PHE 136 CO -0.21 1.04 0.34 0.00 -2.23 0.00 0.00 178.31 177.25 2wm2 h ALA 137 N 0.86 0.82 -0.94 2.41 0.00 -0.68 -1.24 119.26 120.49 2wm2 h ALA 137 Ca 0.11 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2wm2 h ALA 137 Cb 0.73 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2wm2 h ALA 137 CO 0.06 0.02 0.61 -0.22 0.00 0.00 0.00 179.25 179.72 2wm2 h LYS 138 N 0.64 1.09 -0.65 0.00 1.63 -0.36 -2.21 116.57 116.71 2wm2 h LYS 138 Ca 0.27 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 2wm2 h LYS 138 Cb 0.16 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 2wm2 h LYS 138 CO -0.17 0.72 0.27 0.77 -3.45 0.00 0.00 179.45 177.60 2wm2 h SER 139 N 1.12 0.89 -0.58 4.20 0.02 -0.66 -1.34 113.55 117.21 2wm2 h SER 139 Ca 0.39 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 2wm2 h SER 139 Cb 0.12 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2wm2 h SER 139 CO -0.14 0.80 0.04 -0.07 -1.14 0.00 0.00 176.83 176.32 2wm2 h LEU 140 N 0.91 0.99 -0.19 5.07 3.38 -1.08 0.87 115.31 125.27 2wm2 h LEU 140 Ca 0.22 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2wm2 h LEU 140 Cb 0.19 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2wm2 h LEU 140 CO -0.02 1.02 -0.13 0.74 0.09 0.00 0.00 178.44 180.14 2wm2 h THR 141 N 0.95 0.62 -0.20 0.22 2.02 -1.09 -1.98 112.91 113.45 2wm2 h THR 141 Ca 0.18 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.38 2wm2 h THR 141 Cb 0.50 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2wm2 h THR 141 CO 0.02 0.00 0.07 -0.07 0.37 0.00 0.00 175.52 175.92 2wm2 h LEU 142 N -0.13 0.09 -0.88 2.58 4.07 -0.90 -2.90 115.31 117.24 2wm2 h LEU 142 Ca 0.11 0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.23 2wm2 h LEU 142 Cb 0.30 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.95 2wm2 h LEU 142 CO -0.27 0.08 0.48 -0.07 -1.08 0.00 0.00 178.44 177.58 2wm2 h LEU 143 N 0.17 0.61 -0.87 1.67 3.38 -0.62 -1.50 115.31 118.16 2wm2 h LEU 143 Ca 0.08 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wm2 h LEU 143 Cb 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wm2 h LEU 143 CO -0.08 0.26 0.00 0.11 0.09 0.00 0.00 178.44 178.82 2wm2 h LYS 144 N 0.69 0.00 -5.80 1.13 1.57 -1.15 -3.33 116.57 109.68 2wm2 h LYS 144 Ca 0.48 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.65 2wm2 h LYS 144 Cb 0.65 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.86 2wm2 h LYS 144 CO -0.35 0.00 0.42 0.34 -0.57 0.00 0.00 179.45 179.30 2wm2 s ASP 145 N -5.03 6.70 0.22 0.86 -1.08 -0.56 -4.93 116.67 112.84 2wm2 s ASP 145 Ca 0.04 0.73 0.18 0.00 -0.52 0.00 0.00 52.55 52.98 2wm2 s ASP 145 Cb 0.09 -2.42 0.86 0.00 -1.46 0.00 0.00 42.92 40.00 2wm2 s ASP 145 CO 0.50 -0.61 1.54 -0.81 0.52 0.00 0.00 175.17 176.31 2wm2 n PRO 146 N 6.20 0.12 0.06 4.34 -0.04 -1.26 -1.24 135.00 143.18 2wm2 n PRO 146 Ca 0.04 0.52 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 2wm2 n PRO 146 Cb 0.48 -1.81 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 2wm2 n PRO 146 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wm2 n GLU 147 N -2.05 0.62 -0.24 0.54 -0.58 -1.26 -4.53 120.64 113.14 2wm2 n GLU 147 Ca 0.00 0.08 0.03 0.00 -0.42 0.00 0.00 57.16 56.85 2wm2 n GLU 147 Cb 0.10 -1.76 0.04 0.00 -0.57 0.00 0.00 31.44 29.25 2wm2 n GLU 147 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wm2 n ARG 148 N -2.66 0.68 -0.12 3.49 1.74 -0.73 -4.87 116.66 114.20 2wm2 n ARG 148 Ca -0.04 -1.40 -0.02 0.00 -0.77 0.00 0.00 57.85 55.62 2wm2 n ARG 148 Cb 0.64 -0.83 0.21 0.00 -1.02 0.00 0.00 32.46 31.47 2wm2 n ARG 148 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2wm2 h TRP 149 N 0.00 0.82 -0.20 -1.55 5.08 -1.21 0.21 115.95 119.10 2wm2 h TRP 149 Ca 0.00 -0.06 -0.21 0.00 1.08 0.00 0.00 58.89 59.70 2wm2 h TRP 149 Cb 1.12 -0.24 0.01 0.00 -3.00 0.00 0.00 29.16 27.04 2wm2 h TRP 149 CO 0.04 0.68 -0.68 -0.09 -1.28 0.00 0.00 178.44 177.11 2wm2 h ARG 150 N 0.78 0.81 -0.97 0.12 2.43 -1.88 -0.66 114.38 115.01 2wm2 h ARG 150 Ca 0.18 -0.61 0.09 0.00 -0.81 0.00 0.00 59.98 58.83 2wm2 h ARG 150 Cb 0.25 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 2wm2 h ARG 150 CO -0.01 1.22 0.61 1.49 -1.51 0.00 0.00 179.97 181.78 2wm2 h GLU 151 N 0.56 1.01 0.03 0.20 4.81 -1.84 -1.90 114.58 117.44 2wm2 h GLU 151 Ca -0.03 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2wm2 h GLU 151 Cb 1.30 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 2wm2 h GLU 151 CO 0.14 0.67 -0.05 0.78 -0.73 0.00 0.00 179.01 179.83 2wm2 h GLY 152 N 1.04 -0.08 1.35 1.92 0.00 -0.13 -2.30 103.07 104.87 2wm2 h GLY 152 Ca 0.44 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 2wm2 h GLY 152 CO -0.21 -0.05 0.31 -0.91 0.00 0.00 0.00 176.54 175.67 2wm2 h THR 153 N -0.10 1.19 -0.09 4.70 1.35 -0.94 -2.65 112.91 116.38 2wm2 h THR 153 Ca 0.01 -0.53 -0.08 0.00 -0.55 0.00 0.00 66.41 65.26 2wm2 h THR 153 Cb 0.11 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 2wm2 h THR 153 CO -0.03 0.22 -0.32 0.45 -0.25 0.00 0.00 175.52 175.59 2wm2 h HIS 154 N 0.85 0.18 -0.37 4.73 -0.00 -1.15 0.11 115.15 119.50 2wm2 h HIS 154 Ca 0.21 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.44 2wm2 h HIS 154 Cb 0.07 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2wm2 h HIS 154 CO 0.01 0.47 -0.20 0.78 -0.00 0.00 0.00 177.93 178.99 2wm2 h GLY 155 N 1.06 0.76 0.89 2.45 0.00 -1.08 -2.24 103.07 104.90 2wm2 h GLY 155 Ca 0.02 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 2wm2 h GLY 155 CO 0.05 0.57 -0.25 1.41 0.00 0.00 0.00 176.54 178.31 2wm2 h LEU 156 N 0.62 0.62 -1.50 3.11 3.38 -1.12 -2.81 115.31 117.61 2wm2 h LEU 156 Ca 0.09 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.62 2wm2 h LEU 156 Cb 0.68 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2wm2 h LEU 156 CO 0.05 0.98 0.39 -0.26 0.09 0.00 0.00 178.44 179.69 2wm2 h PHE 157 N 0.27 0.62 0.80 1.13 0.04 -0.90 0.21 116.94 119.10 2wm2 h PHE 157 Ca 0.03 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2wm2 h PHE 157 Cb 0.81 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2wm2 h PHE 157 CO 0.08 0.35 -0.44 -0.44 -0.60 0.00 0.00 178.31 177.26 2wm2 h ASP 158 N 0.63 -1.07 -0.31 2.17 3.32 -1.33 -2.03 116.42 117.81 2wm2 h ASP 158 Ca 0.24 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.38 2wm2 h ASP 158 Cb 0.18 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2wm2 h ASP 158 CO -0.07 -0.70 0.10 0.58 -1.72 0.00 0.00 179.24 177.43 2wm2 h VAL 159 N -1.14 0.91 -0.67 -1.35 2.07 -1.14 -1.78 116.25 113.14 2wm2 h VAL 159 Ca -0.11 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2wm2 h VAL 159 Cb 0.90 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2wm2 h VAL 159 CO 0.14 0.04 0.39 -0.50 0.02 0.00 0.00 177.57 177.67 2wm2 h TRP 160 N 0.23 0.90 0.00 1.57 6.55 -0.64 -1.87 115.95 122.69 2wm2 h TRP 160 Ca 0.14 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.96 2wm2 h TRP 160 Cb 0.11 -0.29 -0.00 0.00 -0.86 0.00 0.00 29.16 28.12 2wm2 h TRP 160 CO -0.14 0.62 -0.03 -0.07 -1.05 0.00 0.00 178.44 177.77 2wm2 h LEU 161 N 0.91 0.00 -1.58 -4.49 3.38 -1.27 -1.35 115.31 110.92 2wm2 h LEU 161 Ca 0.24 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.69 2wm2 h LEU 161 Cb -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 2wm2 h LEU 161 CO -0.04 0.03 -0.87 -0.67 0.09 0.00 0.00 178.44 176.98 2wm2 n ASP 162 N -3.11 -1.55 -0.26 -0.43 2.03 -0.68 -1.80 116.55 110.75 2wm2 n ASP 162 Ca 0.03 -1.01 -0.03 0.00 0.52 0.00 0.00 54.79 54.29 2wm2 n ASP 162 Cb 0.46 -2.92 -0.01 0.00 -0.72 0.00 0.00 41.12 37.93 2wm2 n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wm2 n GLY 163 N -1.79 0.64 3.61 0.27 0.00 -1.26 -5.02 105.19 101.65 2wm2 n GLY 163 Ca -0.16 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 2wm2 n GLY 163 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wm2 s HIS 164 N -2.10 2.93 -1.15 1.61 3.76 -0.75 -5.02 115.29 114.57 2wm2 s HIS 164 Ca 0.00 -0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 54.87 2wm2 s HIS 164 Cb 0.00 -1.63 0.24 0.00 1.11 0.00 0.00 32.58 32.30 2wm2 s HIS 164 CO 0.00 0.39 2.04 -3.47 -0.85 0.00 0.00 174.74 172.85 2wm2 n ASP 165 N 1.58 7.57 -4.58 1.40 2.03 -1.26 -4.94 116.55 118.35 2wm2 n ASP 165 Ca -0.15 -3.46 -0.42 0.00 0.52 0.00 0.00 54.79 51.28 2wm2 n ASP 165 Cb 0.53 -1.25 -0.02 0.00 -0.72 0.00 0.00 41.12 39.65 2wm2 n ASP 165 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2wm2 s GLU 166 N -2.96 3.48 0.21 -0.67 2.56 -1.26 -4.92 118.70 115.14 2wm2 s GLU 166 Ca 0.45 0.33 -0.09 0.00 0.00 0.00 0.00 54.97 55.65 2wm2 s GLU 166 Cb 0.18 -4.03 0.31 0.00 2.00 0.00 0.00 34.13 32.59 2wm2 s GLU 166 CO -0.11 -1.72 1.70 -0.22 -0.56 0.00 0.00 175.26 174.36 2wm2 h LYS 167 N 9.88 0.25 -0.03 4.30 3.64 -2.00 -1.79 116.57 130.82 2wm2 h LYS 167 Ca -0.25 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 58.86 2wm2 h LYS 167 Cb 1.07 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.85 2wm2 h LYS 167 CO 1.18 0.17 -0.98 0.00 -2.27 0.00 0.00 179.45 177.55 2wm2 h ARG 168 N 0.26 0.71 0.00 1.90 3.08 -1.98 -2.77 114.38 115.58 2wm2 h ARG 168 Ca 0.33 -0.72 -0.12 0.00 0.07 0.00 0.00 59.98 59.54 2wm2 h ARG 168 Cb 0.49 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2wm2 h ARG 168 CO -0.42 1.30 -0.58 0.28 -1.07 0.00 0.00 179.97 179.48 2wm2 h VAL 169 N 0.42 1.40 -0.38 2.04 2.07 -1.92 -2.58 116.25 117.29 2wm2 h VAL 169 Ca -0.11 -2.00 -0.13 0.00 0.82 0.00 0.00 66.70 65.28 2wm2 h VAL 169 Cb 1.63 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 2wm2 h VAL 169 CO 0.19 0.57 -0.28 0.03 0.02 0.00 0.00 177.57 178.10 2wm2 h ARG 170 N 0.00 0.81 -0.86 1.57 3.08 -1.33 -2.30 114.38 115.35 2wm2 h ARG 170 Ca -0.01 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 2wm2 h ARG 170 Cb 1.04 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.03 2wm2 h ARG 170 CO 0.08 0.99 0.42 1.25 -1.07 0.00 0.00 179.97 181.63 2wm2 h HIS 171 N 0.69 1.22 0.01 3.04 2.76 -1.33 -0.07 115.15 121.48 2wm2 h HIS 171 Ca 0.08 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2wm2 h HIS 171 Cb 0.81 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2wm2 h HIS 171 CO 0.04 0.88 -0.00 1.25 -1.30 0.00 0.00 177.93 178.80 2wm2 h HIS 172 N 1.21 -0.01 -0.47 5.26 -0.00 -1.33 -1.02 115.15 118.80 2wm2 h HIS 172 Ca 0.29 -0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.54 2wm2 h HIS 172 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2wm2 h HIS 172 CO 0.01 0.19 -0.18 -0.07 -0.00 0.00 0.00 177.93 177.88 2wm2 h LEU 173 N -0.21 0.97 0.00 0.26 3.38 -1.28 0.03 115.31 118.46 2wm2 h LEU 173 Ca -0.00 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2wm2 h LEU 173 Cb 0.21 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2wm2 h LEU 173 CO 0.00 1.14 -1.55 0.18 0.09 0.00 0.00 178.44 178.31 2wm2 n LEU 174 N -4.17 0.41 -0.03 1.67 4.77 -0.05 -4.05 117.00 115.56 2wm2 n LEU 174 Ca -0.00 0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 2wm2 n LEU 174 Cb 0.44 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2wm2 n LEU 174 CO 0.46 -0.06 -0.71 1.21 -1.33 0.00 0.00 177.39 176.96 2wm2 n GLU 175 N -2.48 0.13 0.19 3.23 4.07 -0.43 -4.36 120.64 120.98 2wm2 n GLU 175 Ca -0.03 0.06 0.09 0.00 -0.06 0.00 0.00 57.16 57.21 2wm2 n GLU 175 Cb 0.59 -0.72 0.11 0.00 -0.06 0.00 0.00 31.44 31.36 2wm2 n GLU 175 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2wm2 h GLU 176 N -0.21 0.00 -0.09 5.31 5.08 -0.98 -3.09 114.58 120.60 2wm2 h GLU 176 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2wm2 h GLU 176 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2wm2 h GLU 176 CO -0.09 0.18 0.00 -1.33 -1.00 0.00 0.00 179.01 176.77 2wm2 n MET 177 N -3.13 2.26 -0.37 2.33 2.81 -0.05 -4.64 117.12 116.33 2wm2 n MET 177 Ca 0.03 -1.95 -0.02 0.00 -1.81 0.00 0.00 57.70 53.96 2wm2 n MET 177 Cb 0.60 -1.45 0.11 0.00 -0.71 0.00 0.00 33.22 31.77 2wm2 n MET 177 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wm2 h ALA 178 N 4.52 1.25 0.00 3.04 0.00 -1.70 -2.72 119.26 123.64 2wm2 h ALA 178 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wm2 h ALA 178 Cb 0.97 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wm2 h ALA 178 CO 0.00 0.61 0.00 -0.25 0.00 0.00 0.00 179.25 179.61 2wm2 n ASP 179 N -4.42 0.25 -4.65 0.00 8.00 -1.26 -4.74 116.55 109.74 2wm2 n ASP 179 Ca 0.12 0.54 -0.43 0.00 0.71 0.00 0.00 54.79 55.73 2wm2 n ASP 179 Cb 0.03 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.51 2wm2 n ASP 179 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2wm2 s TYR 180 N -3.08 3.23 0.00 1.24 1.51 -1.03 -4.80 117.35 114.42 2wm2 s TYR 180 Ca 0.09 1.32 0.00 0.00 -1.01 0.00 0.00 57.07 57.47 2wm2 s TYR 180 Cb 0.13 -3.47 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 2wm2 s TYR 180 CO 0.42 -0.67 0.00 0.41 -1.11 0.00 0.00 175.55 174.59 2wm2 n GLY 181 N 3.59 1.43 0.24 0.71 0.00 -1.26 -4.91 105.19 104.97 2wm2 n GLY 181 Ca 0.12 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.25 2wm2 n GLY 181 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wm2 h TYR 182 N -0.06 0.00 -0.98 1.61 3.20 -1.98 -2.78 116.97 115.99 2wm2 h TYR 182 Ca 0.00 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2wm2 h TYR 182 Cb 0.00 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2wm2 h TYR 182 CO 0.00 0.20 0.63 0.22 -1.64 0.00 0.00 178.16 177.57 2wm2 h ASP 183 N 0.00 1.04 0.08 -2.11 3.58 -1.99 0.16 116.42 117.18 2wm2 h ASP 183 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2wm2 h ASP 183 Cb 0.55 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2wm2 h ASP 183 CO 0.03 0.68 -0.04 0.00 -2.88 0.00 0.00 179.24 177.03 2wm2 h TRP 185 N -0.95 1.14 -0.39 0.00 4.06 -1.41 0.17 115.95 118.58 2wm2 h TRP 185 Ca -0.01 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 60.82 2wm2 h TRP 185 Cb 0.51 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 2wm2 h TRP 185 CO 0.11 0.90 0.22 0.78 -3.56 0.00 0.00 178.44 176.89 2wm2 h GLY 186 N 1.10 0.58 1.00 1.49 0.00 -0.78 -2.34 103.07 104.12 2wm2 h GLY 186 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2wm2 h GLY 186 CO -0.01 0.25 0.40 -0.09 0.00 0.00 0.00 176.54 177.09 2wm2 h ARG 187 N 0.50 0.92 -0.61 4.80 2.43 -1.29 -1.85 114.38 119.28 2wm2 h ARG 187 Ca 0.14 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2wm2 h ARG 187 Cb 0.05 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2wm2 h ARG 187 CO -0.02 0.66 0.26 0.66 -1.51 0.00 0.00 179.97 180.02 2wm2 h SER 188 N 0.92 0.83 -0.61 -3.80 4.64 -0.60 -0.64 113.55 114.28 2wm2 h SER 188 Ca 0.24 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2wm2 h SER 188 Cb -0.01 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 2wm2 h SER 188 CO -0.04 0.75 0.39 1.23 -0.87 0.00 0.00 176.83 178.29 2wm2 h GLY 189 N 0.85 0.86 0.85 -0.77 0.00 -1.13 -0.66 103.07 103.07 2wm2 h GLY 189 Ca 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 2wm2 h GLY 189 CO -0.02 0.29 -0.04 3.21 0.00 0.00 0.00 176.54 179.98 2wm2 h ARG 190 N 0.79 0.47 -0.13 4.80 3.08 -1.01 -2.45 114.38 119.93 2wm2 h ARG 190 Ca 0.23 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 2wm2 h ARG 190 Cb -0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2wm2 h ARG 190 CO -0.07 0.67 -0.15 0.28 -1.07 0.00 0.00 179.97 179.63 2wm2 h VAL 191 N 0.23 1.36 -0.48 2.04 2.07 -1.06 -1.87 116.25 118.54 2wm2 h VAL 191 Ca 0.07 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 2wm2 h VAL 191 Cb 0.48 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2wm2 h VAL 191 CO 0.02 0.39 0.28 0.40 0.02 0.00 0.00 177.57 178.68 2wm2 h ILE 192 N -0.05 1.15 -0.53 4.57 2.04 -1.19 0.27 117.51 123.78 2wm2 h ILE 192 Ca 0.02 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 2wm2 h ILE 192 Cb 0.69 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2wm2 h ILE 192 CO 0.04 0.16 0.19 -0.08 0.00 0.00 0.00 178.15 178.46 2wm2 h GLU 193 N 0.64 0.81 -0.30 2.37 4.81 -1.47 -1.96 114.58 119.48 2wm2 h GLU 193 Ca 0.17 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2wm2 h GLU 193 Cb 0.01 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2wm2 h GLU 193 CO -0.03 0.73 -0.04 0.22 -0.73 0.00 0.00 179.01 179.15 2wm2 h ASP 194 N 0.73 0.44 -0.22 1.04 3.58 -1.09 -2.25 116.42 118.64 2wm2 h ASP 194 Ca 0.18 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2wm2 h ASP 194 Cb 0.23 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2wm2 h ASP 194 CO -0.01 0.54 0.05 0.00 -2.88 0.00 0.00 179.24 176.94 2wm2 h ALA 195 N 1.52 0.29 0.16 -0.78 0.00 0.04 -1.93 119.26 118.55 2wm2 h ALA 195 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wm2 h ALA 195 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wm2 h ALA 195 CO 0.01 -0.05 -0.07 1.88 0.00 0.00 0.00 179.25 181.02 2wm2 h TYR 196 N 0.18 -0.19 -0.82 0.00 -1.99 -1.31 -1.90 116.97 110.93 2wm2 h TYR 196 Ca 0.07 -0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.91 2wm2 h TYR 196 Cb 0.28 0.06 -0.06 0.00 2.00 0.00 0.00 36.73 39.02 2wm2 h TYR 196 CO 0.01 0.02 0.53 0.78 -0.00 0.00 0.00 178.16 179.51 2wm2 h GLY 197 N -0.38 1.07 0.50 3.88 0.00 -1.39 1.40 103.07 108.15 2wm2 h GLY 197 Ca -0.02 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 46.83 2wm2 h GLY 197 CO 0.04 0.14 -1.80 -0.96 0.00 0.00 0.00 176.54 173.96 2wm2 n ARG 198 N -4.52 0.65 -0.03 4.80 1.85 -0.73 -4.15 116.66 114.53 2wm2 n ARG 198 Ca 0.15 0.06 0.06 0.00 -1.00 0.00 0.00 57.85 57.12 2wm2 n ARG 198 Cb 0.38 -1.67 0.07 0.00 -1.05 0.00 0.00 32.46 30.19 2wm2 n ARG 198 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2wm2 n ASN 199 N -2.71 2.17 0.00 2.89 5.03 -0.72 -5.02 115.26 116.91 2wm2 n ASN 199 Ca -0.14 -1.58 0.00 0.00 0.87 0.00 0.00 54.58 53.72 2wm2 n ASN 199 Cb 0.86 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.58 2wm2 n ASN 199 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wm2 n GLY 200 N 0.69 1.20 3.69 7.41 0.00 0.48 -3.93 105.19 114.73 2wm2 n GLY 200 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 2wm2 n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wm2 s SER 201 N 0.00 -0.25 0.20 1.61 1.04 -1.25 -4.56 113.70 110.49 2wm2 s SER 201 Ca 0.00 -0.31 -0.10 0.00 0.48 0.00 0.00 55.95 56.02 2wm2 s SER 201 Cb 0.00 0.49 0.26 0.00 0.10 0.00 0.00 66.02 66.87 2wm2 s SER 201 CO 0.00 -0.88 1.75 -0.65 0.98 0.00 0.00 173.24 174.44 2wm2 h PRO 202 N 2.00 0.40 -0.37 4.02 0.11 -1.84 -0.63 132.00 135.69 2wm2 h PRO 202 Ca -0.24 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.89 2wm2 h PRO 202 Cb 1.24 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2wm2 h PRO 202 CO 0.27 0.27 0.15 0.52 -0.21 0.00 0.00 178.00 179.00 2wm2 h MET 203 N 0.42 0.30 -0.59 1.05 2.86 -1.94 0.68 114.93 117.72 2wm2 h MET 203 Ca 0.30 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 2wm2 h MET 203 Cb 0.35 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2wm2 h MET 203 CO -0.29 0.20 0.27 1.96 1.06 0.00 0.00 176.91 180.11 2wm2 h GLN 204 N 0.31 0.85 -0.27 1.72 1.08 -1.76 -1.13 115.11 115.91 2wm2 h GLN 204 Ca 0.17 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2wm2 h GLN 204 Cb 0.12 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2wm2 h GLN 204 CO -0.15 0.70 0.13 1.98 -0.95 0.00 0.00 178.83 180.54 2wm2 h MET 205 N 0.80 0.39 -0.57 1.46 4.05 -0.60 -1.34 114.93 119.11 2wm2 h MET 205 Ca 0.20 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.49 2wm2 h MET 205 Cb 0.14 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 2wm2 h MET 205 CO -0.02 0.39 0.06 0.52 0.23 0.00 0.00 176.91 178.09 2wm2 h MET 206 N 0.30 0.94 0.00 0.39 2.86 -0.76 -2.50 114.93 116.16 2wm2 h MET 206 Ca 0.09 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 2wm2 h MET 206 Cb 0.13 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2wm2 h MET 206 CO -0.01 0.89 -0.22 0.00 1.06 0.00 0.00 176.91 178.63 2wm2 h ALA 207 N 1.18 0.99 -0.22 6.32 0.00 -1.07 -3.09 119.26 123.37 2wm2 h ALA 207 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wm2 h ALA 207 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wm2 h ALA 207 CO 0.01 0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.63 2wm2 n ASN 208 N -3.34 1.56 -4.76 0.00 3.02 -0.52 -4.92 115.26 106.30 2wm2 n ASN 208 Ca 0.00 -1.82 -0.41 0.00 -0.03 0.00 0.00 54.58 52.32 2wm2 n ASN 208 Cb 0.45 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 2wm2 n ASN 208 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wm2 s LEU 209 N -1.32 4.34 0.14 3.41 1.43 -1.16 -4.91 118.68 120.61 2wm2 s LEU 209 Ca 0.27 2.95 -0.24 0.00 -1.03 0.00 0.00 54.13 56.07 2wm2 s LEU 209 Cb 0.14 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 2wm2 s LEU 209 CO 0.21 -0.88 1.62 0.74 0.23 0.00 0.00 176.35 178.27 2wm2 h THR 210 N 3.31 0.37 -3.46 5.49 2.02 -1.93 -3.34 112.91 115.37 2wm2 h THR 210 Ca -0.48 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 66.00 2wm2 h THR 210 Cb 1.22 0.37 -0.34 0.00 -1.74 0.00 0.00 68.15 67.66 2wm2 h THR 210 CO 0.76 0.00 -0.48 -0.54 0.37 0.00 0.00 175.52 175.63 2wm2 s LYS 211 N -6.05 2.20 0.66 6.66 -0.14 -1.26 -5.10 119.74 116.71 2wm2 s LYS 211 Ca -0.15 -1.93 -0.15 0.00 -1.36 0.00 0.00 55.97 52.38 2wm2 s LYS 211 Cb 0.11 -3.69 -0.00 0.00 -1.68 0.00 0.00 37.83 32.57 2wm2 s LYS 211 CO 0.67 -1.12 1.11 0.95 -0.76 0.00 0.00 175.35 176.21 2wm2 s THR 212 N 0.99 3.21 0.15 2.17 -4.23 -1.26 -4.91 115.64 111.77 2wm2 s THR 212 Ca 0.09 0.57 -0.25 0.00 -1.18 0.00 0.00 61.69 60.92 2wm2 s THR 212 Cb -0.23 -3.09 0.06 0.00 1.34 0.00 0.00 72.50 70.58 2wm2 s THR 212 CO -0.03 -0.34 0.89 0.00 -0.54 0.00 0.00 174.62 174.59 2wm2 s ARG 213 N -4.06 1.25 -0.14 3.99 1.70 -1.26 -5.09 118.95 115.33 2wm2 s ARG 213 Ca 0.67 -0.65 -0.35 0.00 -0.47 0.00 0.00 55.73 54.93 2wm2 s ARG 213 Cb -0.21 0.45 -0.12 0.00 -0.57 0.00 0.00 34.95 34.50 2wm2 s ARG 213 CO 0.41 -0.57 1.87 -2.30 -1.08 0.00 0.00 175.30 173.64 2wm2 n PRO 214 N -0.43 1.94 -4.67 3.89 -0.02 -1.26 -4.77 135.00 129.68 2wm2 n PRO 214 Ca -0.07 0.70 -0.23 0.00 -2.02 0.00 0.00 63.50 61.89 2wm2 n PRO 214 Cb 0.61 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 2wm2 n PRO 214 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wm2 s ILE 215 N 4.16 1.16 -0.05 4.25 1.01 -0.71 -2.29 121.20 128.73 2wm2 s ILE 215 Ca 0.95 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 61.05 2wm2 s ILE 215 Cb -0.77 -0.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 2wm2 s ILE 215 CO 0.54 0.33 -0.23 -0.60 0.00 0.00 0.00 174.94 174.99 2wm2 s ARG 216 N -0.16 2.29 -0.40 2.79 3.52 -0.91 -1.62 118.95 124.46 2wm2 s ARG 216 Ca 0.02 -0.84 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 2wm2 s ARG 216 Cb -0.08 -1.99 0.05 0.00 -1.56 0.00 0.00 34.95 31.37 2wm2 s ARG 216 CO 0.00 0.38 0.25 -1.58 -0.81 0.00 0.00 175.30 173.54 2wm2 s HIS 217 N -0.20 3.27 -0.22 5.12 5.65 0.60 -1.49 115.29 128.01 2wm2 s HIS 217 Ca -0.01 -1.07 -0.07 0.00 0.25 0.00 0.00 55.06 54.16 2wm2 s HIS 217 Cb -0.12 -2.66 -0.03 0.00 -1.18 0.00 0.00 32.58 28.58 2wm2 s HIS 217 CO 0.03 -0.71 0.05 0.96 -0.65 0.00 0.00 174.74 174.42 2wm2 s ILE 218 N 1.54 4.37 0.08 0.89 -4.36 -0.72 -1.23 121.20 121.78 2wm2 s ILE 218 Ca 0.03 -0.16 -0.09 0.00 -0.26 0.00 0.00 60.65 60.16 2wm2 s ILE 218 Cb -0.21 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.50 2wm2 s ILE 218 CO 0.06 0.39 0.20 0.72 0.24 0.00 0.00 174.94 176.55 2wm2 s PHE 219 N 1.12 0.12 -0.01 1.37 -0.71 -0.53 -0.92 117.98 118.42 2wm2 s PHE 219 Ca 0.04 -0.52 0.07 0.00 -1.04 0.00 0.00 56.93 55.49 2wm2 s PHE 219 Cb -0.14 -0.04 -0.11 0.00 -1.21 0.00 0.00 43.02 41.52 2wm2 s PHE 219 CO 0.03 -0.54 0.15 0.43 -1.34 0.00 0.00 175.22 173.95 2wm2 n SER 220 N 0.02 3.30 -3.79 1.98 7.64 -1.26 -0.56 113.62 120.95 2wm2 n SER 220 Ca -0.16 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.63 2wm2 n SER 220 Cb 0.62 1.30 -0.06 0.00 -1.01 0.00 0.00 64.21 65.05 2wm2 n SER 220 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wm2 s GLN 221 N -2.49 0.94 0.54 1.43 -2.07 -1.26 -4.41 119.66 112.33 2wm2 s GLN 221 Ca -0.03 -0.89 -0.21 0.00 -1.82 0.00 0.00 55.36 52.41 2wm2 s GLN 221 Cb 0.05 0.39 -0.07 0.00 -1.09 0.00 0.00 33.01 32.29 2wm2 s GLN 221 CO 0.31 -0.33 1.05 -2.30 -1.32 0.00 0.00 175.29 172.70 2wm2 n PRO 222 N -0.12 1.19 -0.06 9.60 -0.02 -1.26 -4.76 135.00 139.57 2wm2 n PRO 222 Ca -0.15 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 2wm2 n PRO 222 Cb 0.63 -2.21 0.40 0.00 -0.02 0.00 0.00 33.50 32.30 2wm2 n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wm2 n THR 223 N -1.22 0.16 -2.82 3.45 -2.24 -1.26 -4.83 114.28 105.51 2wm2 n THR 223 Ca 0.12 -0.35 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 2wm2 n THR 223 Cb 0.44 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 2wm2 n THR 223 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wm2 s GLU 224 N -1.84 4.13 0.46 -0.78 8.01 -1.26 -4.98 118.70 122.44 2wm2 s GLU 224 Ca 0.34 0.98 0.16 0.00 0.01 0.00 0.00 54.97 56.46 2wm2 s GLU 224 Cb 0.19 -2.23 1.12 0.00 -4.31 0.00 0.00 34.13 28.90 2wm2 s GLU 224 CO 0.29 -0.03 2.00 -1.35 0.01 0.00 0.00 175.26 176.18 2wm2 h PRO 225 N 1.80 0.29 -0.51 0.39 0.11 -2.01 -2.69 132.00 129.37 2wm2 h PRO 225 Ca -0.48 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2wm2 h PRO 225 Cb 1.18 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2wm2 h PRO 225 CO 0.62 0.19 0.23 0.93 -0.21 0.00 0.00 178.00 179.76 2wm2 h GLU 226 N 0.30 0.72 0.17 1.05 3.07 -1.98 -2.70 114.58 115.20 2wm2 h GLU 226 Ca 0.24 -0.09 -0.30 0.00 -0.50 0.00 0.00 59.36 58.71 2wm2 h GLU 226 Cb 0.55 -0.14 0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2wm2 h GLU 226 CO -0.05 0.57 -1.31 -0.92 -1.40 0.00 0.00 179.01 175.90 2wm2 h TYR 227 N 0.72 0.74 -0.96 4.33 3.20 -1.83 -2.97 116.97 120.20 2wm2 h TYR 227 Ca 0.18 -0.52 0.09 0.00 3.14 0.00 0.00 58.73 61.61 2wm2 h TYR 227 Cb 0.10 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 2wm2 h TYR 227 CO 0.01 1.40 0.62 1.49 -1.64 0.00 0.00 178.16 180.03 2wm2 h GLU 228 N 0.14 0.99 -0.24 1.82 4.81 -1.50 -2.94 114.58 117.66 2wm2 h GLU 228 Ca -0.18 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2wm2 h GLU 228 Cb 2.01 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 2wm2 h GLU 228 CO 0.23 0.66 0.12 -0.22 -0.73 0.00 0.00 179.01 179.06 2wm2 h LYS 229 N 1.02 0.34 -0.69 1.92 3.64 -1.32 0.23 116.57 121.70 2wm2 h LYS 229 Ca 0.44 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.79 2wm2 h LYS 229 Cb 0.33 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 2wm2 h LYS 229 CO -0.19 0.34 0.46 -0.84 -2.27 0.00 0.00 179.45 176.95 2wm2 h ILE 230 N 0.25 1.15 -0.20 2.00 3.07 -1.47 0.36 117.51 122.68 2wm2 h ILE 230 Ca 0.08 -0.31 -0.02 0.00 1.55 0.00 0.00 64.86 66.16 2wm2 h ILE 230 Cb 0.11 0.17 -0.01 0.00 -0.27 0.00 0.00 36.82 36.82 2wm2 h ILE 230 CO -0.01 0.17 0.03 0.78 -1.05 0.00 0.00 178.15 178.07 2wm2 h ASN 231 N 0.91 0.31 0.57 2.16 2.35 -1.18 -0.47 115.58 120.22 2wm2 h ASN 231 Ca 0.26 -0.26 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2wm2 h ASN 231 Cb -0.06 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2wm2 h ASN 231 CO -0.06 0.50 -0.59 0.77 -1.65 0.00 0.00 177.43 176.39 2wm2 h SER 232 N 0.12 0.02 -0.37 5.81 4.64 -0.02 -1.30 113.55 122.46 2wm2 h SER 232 Ca 0.06 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 2wm2 h SER 232 Cb 0.32 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2wm2 h SER 232 CO 0.00 0.61 -0.42 0.44 -0.87 0.00 0.00 176.83 176.59 2wm2 h ASP 233 N 0.02 1.01 -0.32 4.97 3.32 -0.23 0.27 116.42 125.46 2wm2 h ASP 233 Ca -0.01 -0.48 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 2wm2 h ASP 233 Cb 1.05 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2wm2 h ASP 233 CO 0.08 1.28 -0.08 0.15 -1.72 0.00 0.00 179.24 178.95 2wm2 h PHE 234 N 0.75 0.79 -0.13 4.55 3.04 -1.05 -2.59 116.94 122.30 2wm2 h PHE 234 Ca 0.05 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 2wm2 h PHE 234 Cb 1.02 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 2wm2 h PHE 234 CO 0.07 0.78 0.03 0.00 -2.02 0.00 0.00 178.31 177.17 2wm2 h ALA 235 N 1.24 0.18 -0.45 2.41 0.00 -1.07 -1.10 119.26 120.46 2wm2 h ALA 235 Ca 0.12 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2wm2 h ALA 235 Cb 0.54 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 2wm2 h ALA 235 CO 0.03 -0.19 -0.13 0.93 0.00 0.00 0.00 179.25 179.89 2wm2 h GLU 236 N 0.02 -0.02 0.00 0.00 5.08 -0.88 -2.80 114.58 115.97 2wm2 h GLU 236 Ca 0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2wm2 h GLU 236 Cb 0.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2wm2 h GLU 236 CO 0.00 -0.02 -0.56 0.37 -1.00 0.00 0.00 179.01 177.80 2wm2 h GLN 237 N -0.03 0.00 -4.58 2.33 4.15 -1.33 -3.42 115.11 112.23 2wm2 h GLN 237 Ca 0.22 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 59.00 2wm2 h GLN 237 Cb 0.36 0.00 -0.38 0.00 0.21 0.00 0.00 27.48 27.67 2wm2 h GLN 237 CO -0.48 0.56 -0.79 -1.01 -1.93 0.00 0.00 178.83 175.19 2wm2 s HIS 238 N -3.51 2.86 0.34 3.99 3.76 -0.43 -5.01 115.29 117.29 2wm2 s HIS 238 Ca -0.00 -2.10 0.10 0.00 -0.15 0.00 0.00 55.06 52.91 2wm2 s HIS 238 Cb 0.12 -1.84 0.88 0.00 1.11 0.00 0.00 32.58 32.85 2wm2 s HIS 238 CO 0.74 -0.84 1.77 -1.35 -0.85 0.00 0.00 174.74 174.21 2wm2 h PRO 239 N 7.85 0.59 0.00 8.40 0.11 -1.83 -1.75 132.00 145.37 2wm2 h PRO 239 Ca -0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2wm2 h PRO 239 Cb 1.05 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2wm2 h PRO 239 CO 0.44 0.39 0.00 0.11 -0.21 0.00 0.00 178.00 178.73 2wm2 h TRP 240 N 0.61 0.00 -3.25 0.65 5.08 -1.90 -3.44 115.95 113.69 2wm2 h TRP 240 Ca 0.59 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.99 2wm2 h TRP 240 Cb 1.14 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.24 2wm2 h TRP 240 CO -0.00 0.00 -0.08 0.12 -1.28 0.00 0.00 178.44 177.19 2wm2 s PHE 241 N -3.33 3.66 0.20 0.12 5.36 -0.66 -1.75 117.98 121.58 2wm2 s PHE 241 Ca 0.06 1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 57.11 2wm2 s PHE 241 Cb 0.09 -2.53 -0.04 0.00 -0.34 0.00 0.00 43.02 40.20 2wm2 s PHE 241 CO 0.57 0.38 0.12 -1.54 -1.46 0.00 0.00 175.22 173.28 2wm2 s SER 242 N -0.22 0.24 0.12 6.13 1.04 -0.64 -4.71 113.70 115.67 2wm2 s SER 242 Ca 0.28 -1.37 -0.15 0.00 0.48 0.00 0.00 55.95 55.19 2wm2 s SER 242 Cb -0.17 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.33 2wm2 s SER 242 CO 0.15 -0.82 0.36 -0.72 0.98 0.00 0.00 173.24 173.19 2wm2 s TYR 243 N -4.12 -0.14 -0.03 5.02 1.13 -1.26 -0.29 117.35 117.65 2wm2 s TYR 243 Ca 0.37 -0.19 -0.01 0.00 -1.41 0.00 0.00 57.07 55.84 2wm2 s TYR 243 Cb 0.07 0.20 0.03 0.00 -1.10 0.00 0.00 41.96 41.16 2wm2 s TYR 243 CO 0.11 -0.67 0.02 0.00 -2.51 0.00 0.00 175.55 172.51 2wm2 s ALA 244 N -3.77 0.27 -0.35 9.51 0.00 -0.36 -4.90 121.76 122.15 2wm2 s ALA 244 Ca 0.03 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 2wm2 s ALA 244 Cb 0.02 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2wm2 s ALA 244 CO -0.12 -0.23 0.89 0.21 0.00 0.00 0.00 175.76 176.51 2wm2 s LYS 245 N 1.44 3.87 0.00 0.00 2.20 -1.26 -1.45 119.74 124.54 2wm2 s LYS 245 Ca -0.04 0.58 0.24 0.00 -0.36 0.00 0.00 55.97 56.39 2wm2 s LYS 245 Cb -0.13 -3.78 0.35 0.00 -1.51 0.00 0.00 37.83 32.75 2wm2 s LYS 245 CO -0.03 -0.88 1.30 1.28 -0.36 0.00 0.00 175.35 176.67 2wm2 n LEU 246 N 6.62 0.60 -1.82 5.43 4.77 0.28 -4.97 117.00 127.92 2wm2 n LEU 246 Ca 0.06 -0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.74 2wm2 n LEU 246 Cb 0.48 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 2wm2 n LEU 246 CO 0.56 0.15 -0.21 0.61 -1.33 0.00 0.00 177.39 177.17 2wm2 n GLY 247 N 1.50 1.23 3.88 -0.72 0.00 -1.26 -4.98 105.19 104.84 2wm2 n GLY 247 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2wm2 n GLY 247 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wm2 s GLY 248 N -2.52 1.63 0.12 -0.02 0.00 -1.26 -5.00 107.32 100.27 2wm2 s GLY 248 Ca 0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.25 2wm2 s GLY 248 CO 0.00 0.02 1.62 -0.56 0.00 0.00 0.00 173.10 174.17 2wm2 h PRO 249 N -0.50 0.60 0.00 2.90 0.13 -1.92 -3.46 132.00 129.76 2wm2 h PRO 249 Ca -0.45 -0.15 -0.58 0.00 -0.87 0.00 0.00 66.00 63.96 2wm2 h PRO 249 Cb 1.24 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 2wm2 h PRO 249 CO 0.63 0.65 -0.38 0.25 -0.23 0.00 0.00 178.00 178.92 2wm2 n THR 250 N -4.58 0.00 0.87 1.56 -2.24 -1.26 -4.71 114.28 103.92 2wm2 n THR 250 Ca -0.01 -2.11 0.08 0.00 -2.27 0.00 0.00 64.05 59.74 2wm2 n THR 250 Cb 0.21 0.29 0.43 0.00 -2.10 0.00 0.00 70.33 69.15 2wm2 n THR 250 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2wm2 n HIS 251 N -1.29 0.00 -3.59 4.78 -0.00 -0.51 -4.40 115.22 110.22 2wm2 n HIS 251 Ca -0.14 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.31 2wm2 n HIS 251 Cb 0.58 -0.10 -0.10 0.00 -0.00 0.00 0.00 29.99 30.37 2wm2 n HIS 251 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2wm2 n PHE 252 N -1.10 2.74 0.27 1.57 3.01 -1.26 -4.87 117.46 117.82 2wm2 n PHE 252 Ca 0.10 -4.09 0.11 0.00 1.01 0.00 0.00 57.45 54.58 2wm2 n PHE 252 Cb 0.08 -0.50 0.75 0.00 -0.01 0.00 0.00 39.48 39.80 2wm2 n PHE 252 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2wm2 h PRO 253 N 4.76 0.00 -0.14 -1.08 0.13 -1.93 -0.99 132.00 132.74 2wm2 h PRO 253 Ca 0.17 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.35 2wm2 h PRO 253 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 2wm2 h PRO 253 CO 0.72 0.03 0.13 0.00 -0.23 0.00 0.00 178.00 178.64 2wm2 h ALA 254 N 1.97 1.90 0.00 -0.56 0.00 -1.89 -2.36 119.26 118.33 2wm2 h ALA 254 Ca -0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2wm2 h ALA 254 Cb 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2wm2 h ALA 254 CO 0.00 -0.20 -1.77 -0.89 0.00 0.00 0.00 179.25 176.39 2wm2 n ILE 255 N -4.10 1.51 0.46 0.00 5.41 -0.44 -3.71 119.36 118.49 2wm2 n ILE 255 Ca 0.00 -0.15 0.11 0.00 1.00 0.00 0.00 62.75 63.72 2wm2 n ILE 255 Cb 0.25 -2.06 -0.02 0.00 -0.71 0.00 0.00 39.64 37.10 2wm2 n ILE 255 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2wm2 n ASP 256 N -4.37 0.57 -3.15 4.38 5.68 -0.84 -4.23 116.55 114.59 2wm2 n ASP 256 Ca -0.37 -0.17 -0.20 0.00 -0.50 0.00 0.00 54.79 53.55 2wm2 n ASP 256 Cb 0.71 0.97 -0.03 0.00 -1.14 0.00 0.00 41.12 41.62 2wm2 n ASP 256 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2wm2 n VAL 257 N -2.05 0.40 -0.17 2.12 0.24 -0.90 -4.94 118.33 113.03 2wm2 n VAL 257 Ca 0.01 -4.75 -0.10 0.00 -2.04 0.00 0.00 64.34 57.45 2wm2 n VAL 257 Cb 0.46 -0.52 -0.00 0.00 -1.47 0.00 0.00 33.84 32.31 2wm2 n VAL 257 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2wm2 h PRO 258 N 3.03 0.89 -0.99 7.34 0.13 -1.71 -2.28 132.00 138.42 2wm2 h PRO 258 Ca 0.11 -0.32 0.17 0.00 -0.87 0.00 0.00 66.00 65.09 2wm2 h PRO 258 Cb 0.88 -0.06 -0.10 0.00 0.13 0.00 0.00 31.00 31.85 2wm2 h PRO 258 CO 0.56 0.96 0.60 0.38 -0.23 0.00 0.00 178.00 180.26 2wm2 h ASP 259 N 0.74 0.79 -0.12 1.44 2.03 -1.91 -0.32 116.42 119.07 2wm2 h ASP 259 Ca 0.13 0.09 -0.22 0.00 -0.73 0.00 0.00 57.03 56.29 2wm2 h ASP 259 Cb 0.60 -0.06 0.01 0.00 -0.83 0.00 0.00 39.33 39.05 2wm2 h ASP 259 CO 0.04 0.32 -0.77 0.03 -1.03 0.00 0.00 179.24 177.83 2wm2 h ARG 260 N 0.80 0.77 -0.65 4.15 2.47 -1.84 -2.56 114.38 117.53 2wm2 h ARG 260 Ca 0.55 -0.62 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2wm2 h ARG 260 Cb 0.78 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.19 2wm2 h ARG 260 CO -0.35 1.23 0.42 0.00 0.56 0.00 0.00 179.97 181.83 2wm2 h ALA 261 N 0.59 0.83 -0.26 0.04 0.00 -0.80 -2.71 119.26 116.95 2wm2 h ALA 261 Ca -0.05 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2wm2 h ALA 261 Cb 1.39 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2wm2 h ALA 261 CO 0.16 0.27 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 2wm2 h ALA 262 N 1.23 0.21 -0.82 0.00 0.00 -1.07 -2.40 119.26 116.41 2wm2 h ALA 262 Ca 0.24 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.38 2wm2 h ALA 262 Cb -0.08 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2wm2 h ALA 262 CO -0.05 -0.43 0.54 0.28 0.00 0.00 0.00 179.25 179.59 2wm2 h VAL 263 N 0.05 0.80 0.00 0.00 2.07 -1.13 0.34 116.25 118.39 2wm2 h VAL 263 Ca 0.12 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 2wm2 h VAL 263 Cb 0.17 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2wm2 h VAL 263 CO -0.23 0.10 -0.74 0.45 0.02 0.00 0.00 177.57 177.17 2wm2 h HIS 264 N 0.53 0.00 -0.03 1.57 3.86 -1.43 -2.74 115.15 116.91 2wm2 h HIS 264 Ca 0.41 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.57 2wm2 h HIS 264 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 2wm2 h HIS 264 CO -0.00 0.55 -0.17 0.82 0.86 0.00 0.00 177.93 179.99 2wm2 h ILE 265 N 0.00 1.49 -0.82 2.45 2.04 -0.25 -2.98 117.51 119.45 2wm2 h ILE 265 Ca -0.04 -1.70 0.10 0.00 1.00 0.00 0.00 64.86 64.21 2wm2 h ILE 265 Cb 1.45 2.53 -0.07 0.00 -0.74 0.00 0.00 36.82 39.99 2wm2 h ILE 265 CO 0.07 0.47 0.46 0.03 0.00 0.00 0.00 178.15 179.17 2wm2 h ARG 266 N -0.44 0.75 -0.32 2.37 3.08 -0.56 0.16 114.38 119.42 2wm2 h ARG 266 Ca -0.01 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.03 2wm2 h ARG 266 Cb 0.85 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 2wm2 h ARG 266 CO 0.04 0.50 0.09 1.49 -1.07 0.00 0.00 179.97 181.01 2wm2 h GLU 267 N 0.77 0.22 -0.37 0.04 4.81 -1.53 0.44 114.58 118.96 2wm2 h GLU 267 Ca 0.40 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.52 2wm2 h GLU 267 Cb 0.38 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2wm2 h GLU 267 CO -0.25 0.14 -0.16 0.74 -0.73 0.00 0.00 179.01 178.75 2wm2 h PHE 268 N 0.22 0.87 -0.73 0.92 -1.00 -1.21 -0.84 116.94 115.16 2wm2 h PHE 268 Ca 0.14 -0.21 0.06 0.00 2.81 0.00 0.00 57.97 60.77 2wm2 h PHE 268 Cb 0.13 -0.20 -0.06 0.00 3.61 0.00 0.00 35.95 39.43 2wm2 h PHE 268 CO -0.15 0.94 0.43 0.00 -1.61 0.00 0.00 178.31 177.92 2wm2 h ALA 269 N 0.80 0.99 -0.07 2.45 0.00 -0.45 -1.63 119.26 121.35 2wm2 h ALA 269 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2wm2 h ALA 269 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2wm2 h ALA 269 CO 0.05 0.14 -0.49 1.15 0.00 0.00 0.00 179.25 180.10 2wm2 h THR 270 N 0.80 1.35 -0.43 0.00 2.02 -0.76 -1.84 112.91 114.05 2wm2 h THR 270 Ca 0.32 -1.71 -0.12 0.00 0.77 0.00 0.00 66.41 65.67 2wm2 h THR 270 Cb 0.17 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 2wm2 h THR 270 CO -0.17 0.50 -0.22 0.00 0.37 0.00 0.00 175.52 176.00 2wm2 h ALA 271 N 1.36 0.80 -0.58 6.16 0.00 -0.70 -2.94 119.26 123.36 2wm2 h ALA 271 Ca 0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2wm2 h ALA 271 Cb 0.92 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2wm2 h ALA 271 CO 0.07 0.65 -0.00 0.82 0.00 0.00 0.00 179.25 180.79 2wm2 h ILE 272 N 0.75 1.27 0.00 0.00 2.04 -1.17 -2.97 117.51 117.42 2wm2 h ILE 272 Ca 0.10 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2wm2 h ILE 272 Cb 0.76 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2wm2 h ILE 272 CO 0.06 0.41 0.00 0.54 0.00 0.00 0.00 178.15 179.16 2wm2 n ARG 273 N -4.22 0.20 0.00 2.37 1.74 -0.70 -5.04 116.66 111.01 2wm2 n ARG 273 Ca 0.02 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2wm2 n ARG 273 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2wm2 n ARG 273 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15