#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wm2 h THR 2 N 0.00 0.81 0.00 1.12 1.03 -2.06 -3.40 112.91 110.41 2wm2 h THR 2 Ca 0.00 -1.26 -0.15 0.00 -0.01 0.00 0.00 66.41 65.00 2wm2 h THR 2 Cb 0.00 1.77 -0.12 0.00 -1.07 0.00 0.00 68.15 68.73 2wm2 h THR 2 CO 0.00 0.30 -0.11 0.47 -0.01 0.00 0.00 175.52 176.17 2wm2 n ASP 3 N -3.59 -1.62 -0.09 0.00 9.92 -1.26 -5.03 116.55 114.88 2wm2 n ASP 3 Ca -0.01 -2.44 -0.17 0.00 -0.53 0.00 0.00 54.79 51.65 2wm2 n ASP 3 Cb 0.44 1.37 -0.08 0.00 -0.64 0.00 0.00 41.12 42.21 2wm2 n ASP 3 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2wm2 n THR 4 N 0.58 1.06 1.16 -3.53 -1.04 -1.26 -4.66 114.28 106.59 2wm2 n THR 4 Ca -0.01 -0.34 0.12 0.00 -2.04 0.00 0.00 64.05 61.78 2wm2 n THR 4 Cb 0.73 -1.45 0.37 0.00 -1.82 0.00 0.00 70.33 68.16 2wm2 n THR 4 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wm2 n TYR 5 N -3.45 0.18 -2.45 -1.42 0.53 -1.26 -4.92 117.16 104.37 2wm2 n TYR 5 Ca -0.35 -0.09 -0.43 0.00 -1.02 0.00 0.00 57.90 56.01 2wm2 n TYR 5 Cb 0.81 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 39.10 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 -1.68 4.15 0.34 7.72 2.96 -1.26 -2.21 118.68 128.69 2wm2 s LEU 6 Ca 0.34 1.62 0.08 0.00 -0.22 0.00 0.00 54.13 55.95 2wm2 s LEU 6 Cb 0.19 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.28 2wm2 s LEU 6 CO 0.29 -0.77 -0.07 -1.00 -1.32 0.00 0.00 176.35 173.48 2wm2 s HIS 7 N 3.52 2.32 -0.00 5.38 3.76 -0.25 -4.98 115.29 125.04 2wm2 s HIS 7 Ca 0.53 -0.58 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2wm2 s HIS 7 Cb -0.20 -1.39 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 2wm2 s HIS 7 CO 0.14 0.49 -0.10 -2.00 -0.85 0.00 0.00 174.74 172.42 2wm2 s GLU 8 N -3.66 0.77 0.13 1.40 2.12 -1.26 -1.46 118.70 116.75 2wm2 s GLU 8 Ca 0.32 -0.38 -0.12 0.00 0.36 0.00 0.00 54.97 55.15 2wm2 s GLU 8 Cb 0.04 -0.74 0.01 0.00 0.26 0.00 0.00 34.13 33.70 2wm2 s GLU 8 CO 0.16 0.20 0.33 -0.08 -0.54 0.00 0.00 175.26 175.33 2wm2 s THR 9 N -0.30 0.09 -0.19 -1.70 -1.32 -0.73 -5.01 115.64 106.48 2wm2 s THR 9 Ca 0.03 -0.97 -0.19 0.00 -1.21 0.00 0.00 61.69 59.35 2wm2 s THR 9 Cb -0.04 -1.43 -0.03 0.00 -1.51 0.00 0.00 72.50 69.49 2wm2 s THR 9 CO -0.00 -0.39 0.52 -0.22 -2.21 0.00 0.00 174.62 172.32 2wm2 s LEU 10 N -2.87 4.17 -0.28 9.08 2.96 -1.26 -1.25 118.68 129.22 2wm2 s LEU 10 Ca 0.08 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 2wm2 s LEU 10 Cb 0.03 -2.72 0.08 0.00 0.50 0.00 0.00 46.19 44.07 2wm2 s LEU 10 CO -0.08 -0.16 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.07 2wm2 s VAL 11 N 1.50 1.96 0.00 1.68 1.01 0.84 -4.97 120.40 122.41 2wm2 s VAL 11 Ca 0.25 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.49 2wm2 s VAL 11 Cb -0.15 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 33.98 2wm2 s VAL 11 CO 0.10 -0.27 0.00 0.49 0.00 0.00 0.00 175.10 175.42 2wm2 n PHE 12 N 4.46 0.00 -0.04 5.22 3.72 -1.26 -1.38 117.46 128.18 2wm2 n PHE 12 Ca -0.07 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.19 2wm2 n PHE 12 Cb 0.42 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.87 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 0.26 -3.19 4.37 3.32 -2.02 -3.48 116.42 115.68 2wm2 h ASP 13 Ca 0.00 -0.60 -0.58 0.00 0.02 0.00 0.00 57.03 55.87 2wm2 h ASP 13 Cb 0.00 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2wm2 h ASP 13 CO 0.00 0.81 -0.21 0.20 -1.72 0.00 0.00 179.24 178.32 2wm2 s ASN 14 N -6.14 6.65 -0.21 6.45 -0.87 -0.48 -5.06 114.94 115.27 2wm2 s ASN 14 Ca -0.15 0.83 -0.27 0.00 -1.57 0.00 0.00 52.86 51.70 2wm2 s ASN 14 Cb 0.03 -2.19 -0.00 0.00 -0.02 0.00 0.00 41.25 39.07 2wm2 s ASN 14 CO 0.74 0.12 0.92 -0.54 -2.57 0.00 0.00 177.10 175.77 2wm2 s LYS 15 N -2.12 4.26 -0.06 -0.60 1.02 -1.26 -0.11 119.74 120.86 2wm2 s LYS 15 Ca 0.37 1.15 0.06 0.00 0.02 0.00 0.00 55.97 57.56 2wm2 s LYS 15 Cb -0.14 -3.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.54 2wm2 s LYS 15 CO 0.19 -0.50 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.38 2wm2 s LEU 16 N 2.76 2.17 0.40 3.17 1.43 -0.38 -4.85 118.68 123.37 2wm2 s LEU 16 Ca 0.40 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 2wm2 s LEU 16 Cb -0.16 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 2wm2 s LEU 16 CO 0.09 0.26 0.70 -0.94 0.23 0.00 0.00 176.35 176.69 2wm2 s SER 17 N -0.23 6.39 -0.10 2.29 1.04 -1.26 -1.77 113.70 120.05 2wm2 s SER 17 Ca -0.01 0.89 -0.30 0.00 0.48 0.00 0.00 55.95 57.00 2wm2 s SER 17 Cb -0.13 -2.22 0.09 0.00 0.10 0.00 0.00 66.02 63.85 2wm2 s SER 17 CO 0.03 -0.40 0.79 -0.72 0.98 0.00 0.00 173.24 173.91 2wm2 s TYR 18 N -2.43 -0.57 0.32 5.02 1.13 -0.53 -1.37 117.35 118.92 2wm2 s TYR 18 Ca 0.47 1.01 -0.19 0.00 -1.41 0.00 0.00 57.07 56.95 2wm2 s TYR 18 Cb -0.10 0.41 -0.09 0.00 -1.10 0.00 0.00 41.96 41.08 2wm2 s TYR 18 CO 0.36 -0.51 0.81 0.42 -2.51 0.00 0.00 175.55 174.13 2wm2 s ILE 19 N -1.05 4.52 -0.30 -3.49 -1.09 -0.02 -1.09 121.20 118.68 2wm2 s ILE 19 Ca -0.07 1.28 -0.09 0.00 -2.23 0.00 0.00 60.65 59.54 2wm2 s ILE 19 Cb -0.01 -3.72 0.17 0.00 -1.58 0.00 0.00 42.46 37.32 2wm2 s ILE 19 CO 0.07 -0.08 0.80 -0.62 -1.23 0.00 0.00 174.94 173.87 2wm2 s ASP 20 N -2.01 -0.95 0.00 3.58 -1.08 -0.94 -1.98 116.67 113.29 2wm2 s ASP 20 Ca 0.53 0.90 0.26 0.00 -0.52 0.00 0.00 52.55 53.71 2wm2 s ASP 20 Cb -0.13 1.92 1.35 0.00 -1.46 0.00 0.00 42.92 44.60 2wm2 s ASP 20 CO 0.18 -0.18 1.89 -0.46 0.52 0.00 0.00 175.17 177.12 2wm2 n ASN 21 N 5.34 0.55 -0.58 -0.34 0.23 -1.15 -4.70 115.26 114.61 2wm2 n ASN 21 Ca -0.07 -1.32 -0.05 0.00 -0.53 0.00 0.00 54.58 52.62 2wm2 n ASN 21 Cb 0.51 -0.02 -0.02 0.00 -2.08 0.00 0.00 39.78 38.18 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 -0.51 -1.66 -1.68 -3.83 6.02 -1.26 -4.81 117.38 109.65 2wm2 n GLN 22 Ca 0.19 0.42 -0.49 0.00 -0.01 0.00 0.00 57.00 57.11 2wm2 n GLN 22 Cb 0.18 -4.24 -0.05 0.00 1.02 0.00 0.00 30.24 27.16 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 -0.46 2.11 -2.73 -1.09 3.00 -1.26 -4.88 116.66 111.35 2wm2 n ARG 23 Ca -0.05 0.77 -0.43 0.00 -0.00 0.00 0.00 57.85 58.14 2wm2 n ARG 23 Cb 0.30 -2.63 -0.03 0.00 0.00 0.00 0.00 32.46 30.09 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 4.22 6.54 0.31 6.15 -1.08 -1.26 -4.45 116.67 127.10 2wm2 s ASP 24 Ca 0.94 0.24 -0.18 0.00 -0.52 0.00 0.00 52.55 53.02 2wm2 s ASP 24 Cb -0.71 -2.49 0.06 0.00 -1.46 0.00 0.00 42.92 38.32 2wm2 s ASP 24 CO 0.52 -1.14 0.85 0.28 0.52 0.00 0.00 175.17 176.20 2wm2 s THR 25 N 4.06 0.00 0.34 1.71 -1.32 -1.26 -5.07 115.64 114.10 2wm2 s THR 25 Ca 0.41 -0.88 -0.28 0.00 -1.21 0.00 0.00 61.69 59.73 2wm2 s THR 25 Cb -0.09 -2.72 -0.10 0.00 -1.51 0.00 0.00 72.50 68.08 2wm2 s THR 25 CO 0.28 0.00 1.22 -1.81 -2.21 0.00 0.00 174.62 172.10 2wm2 s ASP 26 N -3.12 6.80 1.23 8.08 1.01 -1.26 -4.95 116.67 124.46 2wm2 s ASP 26 Ca 0.16 2.49 -0.16 0.00 0.71 0.00 0.00 52.55 55.75 2wm2 s ASP 26 Cb -0.04 -2.63 0.30 0.00 1.01 0.00 0.00 42.92 41.55 2wm2 s ASP 26 CO 0.09 -0.50 1.01 -0.83 0.21 0.00 0.00 175.17 175.16 2wm2 s GLY 27 N -0.77 1.51 0.59 0.21 0.00 -1.26 -4.82 107.32 102.78 2wm2 s GLY 27 Ca 0.50 -0.47 -0.06 0.00 0.00 0.00 0.00 44.72 44.70 2wm2 s GLY 27 CO 0.46 0.35 0.90 2.56 0.00 0.00 0.00 173.10 177.38 2wm2 s PRO 28 N -4.80 2.95 0.46 2.90 0.04 -1.26 -4.86 135.00 130.43 2wm2 s PRO 28 Ca 0.68 0.03 -0.22 0.00 0.04 0.00 0.00 61.00 61.53 2wm2 s PRO 28 Cb -0.19 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 2wm2 s PRO 28 CO 0.61 -0.69 1.10 0.00 0.04 0.00 0.00 177.00 178.06 2wm2 s ALA 29 N -3.00 2.94 -0.28 8.56 0.00 -0.70 -4.65 121.76 124.63 2wm2 s ALA 29 Ca 0.54 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 2wm2 s ALA 29 Cb -0.11 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2wm2 s ALA 29 CO 0.45 -0.49 0.24 0.42 0.00 0.00 0.00 175.76 176.38 2wm2 s ILE 30 N -1.70 5.27 -0.48 0.00 1.01 -0.57 0.17 121.20 124.92 2wm2 s ILE 30 Ca 0.64 0.28 -0.13 0.00 0.00 0.00 0.00 60.65 61.44 2wm2 s ILE 30 Cb -0.24 -3.57 0.09 0.00 0.01 0.00 0.00 42.46 38.75 2wm2 s ILE 30 CO 0.29 0.23 0.38 -0.22 0.00 0.00 0.00 174.94 175.62 2wm2 s LEU 31 N 1.83 5.66 -0.48 2.97 2.96 -0.43 -1.45 118.68 129.74 2wm2 s LEU 31 Ca 0.09 -1.56 -0.23 0.00 -0.22 0.00 0.00 54.13 52.22 2wm2 s LEU 31 Cb -0.16 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.44 2wm2 s LEU 31 CO 0.11 -0.68 0.79 -0.76 -1.32 0.00 0.00 176.35 174.49 2wm2 s LEU 32 N 1.55 4.32 -0.22 -0.68 1.43 -0.43 0.08 118.68 124.73 2wm2 s LEU 32 Ca 0.04 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 2wm2 s LEU 32 Cb -0.26 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 2wm2 s LEU 32 CO 0.04 -0.98 0.32 -0.76 0.23 0.00 0.00 176.35 175.19 2wm2 s LEU 33 N 3.34 4.14 0.70 1.79 1.43 0.27 -4.09 118.68 126.26 2wm2 s LEU 33 Ca 0.28 0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.64 2wm2 s LEU 33 Cb -0.13 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2wm2 s LEU 33 CO 0.20 -0.03 1.08 -2.84 0.23 0.00 0.00 176.35 175.00 2wm2 s PRO 34 N 1.23 2.92 0.00 1.29 0.02 -1.26 -2.62 135.00 136.59 2wm2 s PRO 34 Ca 0.15 0.54 0.00 0.00 0.02 0.00 0.00 61.00 61.71 2wm2 s PRO 34 Cb -0.14 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2wm2 s PRO 34 CO 0.07 -1.01 0.00 0.41 -0.33 0.00 0.00 177.00 176.14 2wm2 n GLY 35 N -2.85 -0.47 3.79 0.52 0.00 -1.24 -4.28 105.19 100.65 2wm2 n GLY 35 Ca 0.07 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 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 0.21 3.74 -1.53 1.61 0.52 -1.26 -4.23 118.94 117.99 2wm2 s TRP 36 Ca 0.00 1.67 -0.04 0.00 0.02 0.00 0.00 56.10 57.75 2wm2 s TRP 36 Cb 0.00 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.50 2wm2 s TRP 36 CO 0.00 0.31 0.56 0.00 0.02 0.00 0.00 176.95 177.84 2wm2 s HIS 38 N -3.16 0.01 0.23 0.00 -3.43 -1.26 -4.84 115.29 102.84 2wm2 s HIS 38 Ca 0.28 -0.58 0.04 0.00 -0.80 0.00 0.00 55.06 54.00 2wm2 s HIS 38 Cb -0.12 0.74 -0.01 0.00 -1.43 0.00 0.00 32.58 31.75 2wm2 s HIS 38 CO 0.34 -1.40 0.13 -0.40 -2.00 0.00 0.00 174.74 171.42 2wm2 n ASP 39 N -0.96 0.35 -0.20 7.38 5.68 -1.26 -4.73 116.55 122.81 2wm2 n ASP 39 Ca -0.06 -2.33 0.29 0.00 -0.50 0.00 0.00 54.79 52.19 2wm2 n ASP 39 Cb 0.60 0.82 0.50 0.00 -1.14 0.00 0.00 41.12 41.90 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 1.53 0.00 -0.02 2.11 2.07 -1.89 -1.10 115.15 117.84 2wm2 h HIS 40 Ca -0.17 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.36 2wm2 h HIS 40 Cb 0.73 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.71 2wm2 h HIS 40 CO 0.00 0.00 0.02 0.00 -3.07 0.00 0.00 177.93 174.88 2wm2 h ARG 41 N 0.00 0.00 -0.09 5.12 3.08 -1.99 -1.32 114.38 119.18 2wm2 h ARG 41 Ca 0.48 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.56 2wm2 h ARG 41 Cb 2.74 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.79 2wm2 h ARG 41 CO -0.01 0.00 0.15 -0.24 -1.07 0.00 0.00 179.97 178.80 2wm2 h VAL 42 N 0.00 0.31 -0.46 2.04 3.04 -1.61 -2.52 116.25 117.06 2wm2 h VAL 42 Ca 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 2wm2 h VAL 42 Cb 0.04 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.20 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 -3.52 1.03 -0.06 3.17 0.53 -0.50 -4.36 117.16 113.45 2wm2 n TYR 43 Ca -0.01 -0.65 -0.03 0.00 -1.02 0.00 0.00 57.90 56.20 2wm2 n TYR 43 Cb 0.24 -0.19 0.20 0.00 -1.03 0.00 0.00 39.34 38.56 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 2.87 0.68 -0.03 -0.72 2.10 -1.50 0.25 116.57 120.23 2wm2 h LYS 44 Ca 0.00 -0.18 -0.21 0.00 -2.00 0.00 0.00 60.65 58.25 2wm2 h LYS 44 Cb 1.23 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2wm2 h LYS 44 CO 0.16 0.73 -0.87 1.88 -2.00 0.00 0.00 179.45 179.35 2wm2 h TYR 45 N 0.64 0.59 -0.25 0.07 -1.99 -1.84 -2.80 116.97 111.38 2wm2 h TYR 45 Ca 0.12 -0.30 -0.20 0.00 2.00 0.00 0.00 58.73 60.36 2wm2 h TYR 45 Cb 0.46 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 39.12 2wm2 h TYR 45 CO 0.02 1.10 -0.61 1.25 -0.00 0.00 0.00 178.16 179.92 2wm2 h LEU 46 N 0.25 0.97 -0.90 3.88 5.85 -1.54 -2.95 115.31 120.86 2wm2 h LEU 46 Ca -0.06 -0.55 0.09 0.00 0.84 0.00 0.00 57.88 58.20 2wm2 h LEU 46 Cb 1.48 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 2wm2 h LEU 46 CO 0.15 1.35 0.55 0.40 -0.34 0.00 0.00 178.44 180.56 2wm2 h ILE 47 N 0.64 0.96 -0.94 4.05 2.04 -0.56 -2.03 117.51 121.67 2wm2 h ILE 47 Ca -0.00 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.60 2wm2 h ILE 47 Cb 1.23 -0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2wm2 h ILE 47 CO 0.13 0.17 0.61 1.56 0.00 0.00 0.00 178.15 180.62 2wm2 h GLN 48 N 0.93 1.03 0.00 2.37 4.20 -1.33 0.11 115.11 122.42 2wm2 h GLN 48 Ca 0.43 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.97 2wm2 h GLN 48 Cb 0.34 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2wm2 h GLN 48 CO -0.23 0.68 -0.47 0.93 -0.67 0.00 0.00 178.83 179.07 2wm2 h GLU 49 N 1.06 0.00 -0.00 1.46 4.39 -1.22 -3.31 114.58 116.95 2wm2 h GLU 49 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 2wm2 h GLU 49 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2wm2 h GLU 49 CO -0.16 0.47 -0.38 1.28 -1.16 0.00 0.00 179.01 179.06 2wm2 n LEU 50 N -3.94 0.95 0.03 1.33 4.77 -0.98 -4.80 117.00 114.37 2wm2 n LEU 50 Ca -0.01 -0.64 -0.10 0.00 -0.03 0.00 0.00 56.01 55.22 2wm2 n LEU 50 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2wm2 n LEU 50 CO 0.40 0.20 0.75 -0.78 -1.33 0.00 0.00 177.39 176.63 2wm2 h ASP 51 N 0.69 -0.51 -0.43 -1.43 3.58 -0.89 -2.12 116.42 115.32 2wm2 h ASP 51 Ca 0.00 0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 2wm2 h ASP 51 Cb 0.34 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 2wm2 h ASP 51 CO 0.00 -0.23 -0.01 0.00 -2.88 0.00 0.00 179.24 176.12 2wm2 h ALA 52 N 0.72 0.58 0.00 -0.78 0.00 -1.86 -3.32 119.26 114.61 2wm2 h ALA 52 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wm2 h ALA 52 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2wm2 h ALA 52 CO -0.20 0.38 -1.04 -0.25 0.00 0.00 0.00 179.25 178.14 2wm2 n ASP 53 N -4.39 0.69 -4.14 0.00 8.00 -1.16 -4.94 116.55 110.60 2wm2 n ASP 53 Ca -0.00 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.49 2wm2 n ASP 53 Cb 0.30 0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 41.92 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 -3.31 0.93 -0.23 1.24 0.08 -0.81 -4.85 117.98 111.03 2wm2 s PHE 54 Ca 0.01 -0.62 -0.28 0.00 0.12 0.00 0.00 56.93 56.16 2wm2 s PHE 54 Cb 0.12 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 42.05 2wm2 s PHE 54 CO 0.79 -0.04 1.00 0.50 -0.10 0.00 0.00 175.22 177.37 2wm2 s ARG 55 N -2.44 4.24 -0.17 0.44 3.52 -1.26 -4.62 118.95 118.66 2wm2 s ARG 55 Ca 0.01 1.28 -0.02 0.00 -0.13 0.00 0.00 55.73 56.86 2wm2 s ARG 55 Cb -0.05 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 2wm2 s ARG 55 CO -0.00 -0.62 -0.08 0.08 -0.81 0.00 0.00 175.30 173.87 2wm2 s VAL 56 N 3.15 3.27 -0.06 7.11 1.01 -1.26 -1.51 120.40 132.11 2wm2 s VAL 56 Ca 0.42 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2wm2 s VAL 56 Cb -0.15 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2wm2 s VAL 56 CO 0.06 0.48 -0.23 -0.63 0.00 0.00 0.00 175.10 174.79 2wm2 s ILE 57 N 0.85 1.89 -0.34 2.22 -1.09 -0.53 -2.94 121.20 121.26 2wm2 s ILE 57 Ca -0.02 -0.97 -0.00 0.00 -2.23 0.00 0.00 60.65 57.43 2wm2 s ILE 57 Cb -0.15 -1.61 0.11 0.00 -1.58 0.00 0.00 42.46 39.24 2wm2 s ILE 57 CO 0.01 0.53 0.14 -0.69 -1.23 0.00 0.00 174.94 173.69 2wm2 s VAL 58 N -0.04 0.93 0.11 2.92 1.01 -0.84 -1.32 120.40 123.18 2wm2 s VAL 58 Ca -0.06 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 59.96 2wm2 s VAL 58 Cb -0.14 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2wm2 s VAL 58 CO 0.04 -0.75 1.00 -2.16 0.00 0.00 0.00 175.10 173.24 2wm2 s PRO 59 N 1.31 4.65 0.15 2.72 0.04 -1.26 -0.84 135.00 141.77 2wm2 s PRO 59 Ca 0.12 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 2wm2 s PRO 59 Cb -0.19 -3.36 -0.07 0.00 0.04 0.00 0.00 34.50 30.92 2wm2 s PRO 59 CO -0.18 0.14 0.60 -0.80 0.04 0.00 0.00 177.00 176.81 2wm2 s ASN 60 N 0.10 6.96 0.94 6.66 0.01 -0.47 -4.43 114.94 124.71 2wm2 s ASN 60 Ca 0.48 1.23 -0.14 0.00 -0.71 0.00 0.00 52.86 53.72 2wm2 s ASN 60 Cb -0.25 -2.34 0.20 0.00 0.41 0.00 0.00 41.25 39.27 2wm2 s ASN 60 CO 0.31 0.13 1.29 0.26 -1.51 0.00 0.00 177.10 177.58 2wm2 s TRP 61 N -1.38 1.38 0.06 2.20 0.52 -1.26 -4.54 118.94 115.92 2wm2 s TRP 61 Ca 0.37 0.14 -0.31 0.00 0.02 0.00 0.00 56.10 56.33 2wm2 s TRP 61 Cb -0.17 -4.00 -0.07 0.00 -1.15 0.00 0.00 33.47 28.08 2wm2 s TRP 61 CO 0.20 -2.61 1.46 1.03 0.02 0.00 0.00 176.95 177.04 2wm2 s ARG 62 N -5.80 4.27 -0.53 4.98 0.52 -1.26 -1.68 118.95 119.44 2wm2 s ARG 62 Ca 0.74 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 58.05 2wm2 s ARG 62 Cb -0.03 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.98 2wm2 s ARG 62 CO 0.52 -0.57 0.00 0.41 0.02 0.00 0.00 175.30 175.68 2wm2 n GLY 63 N 3.68 0.75 3.32 -3.53 0.00 -1.26 -4.95 105.19 103.20 2wm2 n GLY 63 Ca 0.13 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.19 2.32 -5.00 1.61 3.76 -0.68 -3.59 115.29 111.52 2wm2 s HIS 64 Ca 0.00 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 2wm2 s HIS 64 Cb 0.00 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.24 2wm2 s HIS 64 CO 0.00 0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 2wm2 n GLY 65 N 2.20 -0.49 0.30 -2.22 0.00 -1.26 -4.54 105.19 99.18 2wm2 n GLY 65 Ca -0.16 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 0.16 -7.31 0.99 3.38 -1.99 -3.26 115.31 107.28 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 -0.04 -0.40 0.00 0.09 0.00 0.00 40.66 40.31 2wm2 h LEU 66 CO 0.00 0.11 -0.69 -0.55 0.09 0.00 0.00 178.44 177.40 2wm2 s SER 67 N -6.75 4.19 0.27 -0.43 0.15 -1.26 -5.05 113.70 104.82 2wm2 s SER 67 Ca -0.06 -2.64 -0.29 0.00 0.70 0.00 0.00 55.95 53.66 2wm2 s SER 67 Cb 0.18 -1.41 -0.10 0.00 -1.71 0.00 0.00 66.02 62.98 2wm2 s SER 67 CO 0.70 -0.28 1.30 -2.84 1.20 0.00 0.00 173.24 173.32 2wm2 s PRO 68 N 0.26 4.39 0.03 5.44 0.02 -1.23 -4.84 135.00 139.07 2wm2 s PRO 68 Ca 0.15 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.31 2wm2 s PRO 68 Cb -0.24 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 2wm2 s PRO 68 CO -0.03 -0.19 -0.06 -1.54 -0.33 0.00 0.00 177.00 174.85 2wm2 s SER 69 N -0.15 0.62 0.39 2.53 1.04 -1.24 -5.03 113.70 111.87 2wm2 s SER 69 Ca 0.52 -0.41 -0.26 0.00 0.48 0.00 0.00 55.95 56.28 2wm2 s SER 69 Cb -0.38 0.03 -0.09 0.00 0.10 0.00 0.00 66.02 65.68 2wm2 s SER 69 CO 0.45 -0.16 1.26 -1.61 0.98 0.00 0.00 173.24 174.17 2wm2 s GLU 70 N -1.16 4.05 0.18 4.02 2.02 -1.26 -4.25 118.70 122.29 2wm2 s GLU 70 Ca -0.08 2.07 -0.09 0.00 0.02 0.00 0.00 54.97 56.89 2wm2 s GLU 70 Cb -0.08 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 2wm2 s GLU 70 CO -0.00 -0.39 0.30 0.14 0.02 0.00 0.00 175.26 175.33 2wm2 s VAL 71 N -1.28 0.05 0.63 2.63 -7.23 -1.26 -4.98 120.40 108.96 2wm2 s VAL 71 Ca 0.56 -1.42 -0.16 0.00 -1.81 0.00 0.00 61.98 59.15 2wm2 s VAL 71 Cb -0.36 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 2wm2 s VAL 71 CO 0.46 -0.24 1.13 -2.16 -0.31 0.00 0.00 175.10 173.98 2wm2 s PRO 72 N -3.98 2.90 0.56 4.82 0.04 -1.26 -4.95 135.00 133.13 2wm2 s PRO 72 Ca 0.19 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.52 2wm2 s PRO 72 Cb 0.03 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2wm2 s PRO 72 CO 0.02 -1.19 1.31 -3.47 0.04 0.00 0.00 177.00 173.70 2wm2 n ASP 73 N -2.11 2.42 -2.55 6.66 -0.08 -1.26 -5.03 116.55 114.60 2wm2 n ASP 73 Ca 0.11 0.94 -0.09 0.00 -1.51 0.00 0.00 54.79 54.25 2wm2 n ASP 73 Cb 0.51 -1.55 0.01 0.00 2.34 0.00 0.00 41.12 42.43 2wm2 n ASP 73 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2wm2 n PHE 74 N -1.21 -1.92 -3.08 -0.67 -1.74 -1.26 -5.16 117.46 102.42 2wm2 n PHE 74 Ca 0.11 -1.68 0.00 0.00 -0.56 0.00 0.00 57.45 55.33 2wm2 n PHE 74 Cb 0.45 0.70 0.00 0.00 1.52 0.00 0.00 39.48 42.15 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 -0.46 3.70 0.25 4.97 0.00 -1.26 -4.95 105.19 107.43 2wm2 n GLY 75 Ca -0.05 -1.26 0.11 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 0.51 0.00 -0.35 1.61 -0.00 -1.96 -2.04 116.97 114.75 2wm2 h TYR 76 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.62 2wm2 h TYR 76 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 2wm2 h TYR 76 CO 0.00 0.16 -0.24 1.96 -0.00 0.00 0.00 178.16 180.04 2wm2 h GLN 77 N 0.00 0.69 -0.30 0.10 7.50 -1.97 -1.77 115.11 119.37 2wm2 h GLN 77 Ca -0.00 -0.28 -0.14 0.00 0.50 0.00 0.00 58.65 58.73 2wm2 h GLN 77 Cb 0.42 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 2wm2 h GLN 77 CO 0.02 0.87 -0.35 0.93 -1.50 0.00 0.00 178.83 178.79 2wm2 h GLU 78 N 0.61 0.77 -0.75 1.46 3.07 -1.79 -2.95 114.58 114.99 2wm2 h GLU 78 Ca 0.08 -0.43 0.11 0.00 -0.50 0.00 0.00 59.36 58.62 2wm2 h GLU 78 Cb 0.72 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.58 2wm2 h GLU 78 CO 0.06 1.05 0.38 1.96 -1.40 0.00 0.00 179.01 181.06 2wm2 h GLN 79 N 0.52 0.60 0.62 2.33 4.20 -1.25 0.05 115.11 122.18 2wm2 h GLN 79 Ca 0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2wm2 h GLN 79 Cb 0.94 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 2wm2 h GLN 79 CO 0.08 0.40 -0.47 0.28 -0.67 0.00 0.00 178.83 178.45 2wm2 h VAL 80 N 0.62 0.06 -0.66 -0.54 2.07 -1.29 -0.75 116.25 115.77 2wm2 h VAL 80 Ca 0.38 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.02 2wm2 h VAL 80 Cb 0.43 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.18 2wm2 h VAL 80 CO -0.29 0.00 0.22 0.11 0.02 0.00 0.00 177.57 177.63 2wm2 h LYS 81 N -1.06 0.36 -0.98 1.57 1.57 -1.30 -0.78 116.57 115.96 2wm2 h LYS 81 Ca -0.08 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2wm2 h LYS 81 Cb 0.88 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.05 2wm2 h LYS 81 CO 0.02 0.24 0.64 -0.44 -0.57 0.00 0.00 179.45 179.34 2wm2 h ASP 82 N 0.37 1.04 -0.21 0.86 3.32 -0.83 -0.05 116.42 120.93 2wm2 h ASP 82 Ca 0.35 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 2wm2 h ASP 82 Cb 0.50 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2wm2 h ASP 82 CO -0.38 0.70 -0.17 0.00 -1.72 0.00 0.00 179.24 177.68 2wm2 h ALA 83 N 1.44 0.30 -0.48 3.45 0.00 0.17 -2.67 119.26 121.47 2wm2 h ALA 83 Ca 0.40 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2wm2 h ALA 83 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2wm2 h ALA 83 CO -0.13 0.21 0.05 -0.07 0.00 0.00 0.00 179.25 179.30 2wm2 h LEU 84 N 0.17 0.73 -0.65 0.00 3.38 -0.99 -1.14 115.31 116.81 2wm2 h LEU 84 Ca 0.04 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2wm2 h LEU 84 Cb 0.70 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2wm2 h LEU 84 CO 0.04 0.77 0.23 -0.08 0.09 0.00 0.00 178.44 179.50 2wm2 h GLU 85 N 0.73 1.00 -0.20 1.13 4.57 -0.96 0.02 114.58 120.88 2wm2 h GLU 85 Ca 0.15 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2wm2 h GLU 85 Cb 0.38 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2wm2 h GLU 85 CO 0.01 0.86 0.13 0.82 -1.18 0.00 0.00 179.01 179.65 2wm2 h ILE 86 N 0.94 1.05 -0.40 2.32 2.04 -1.29 -1.94 117.51 120.22 2wm2 h ILE 86 Ca 0.21 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 2wm2 h ILE 86 Cb 0.26 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2wm2 h ILE 86 CO -0.01 0.05 0.22 -0.07 0.00 0.00 0.00 178.15 178.34 2wm2 h LEU 87 N 0.27 0.48 0.60 1.44 3.38 -0.56 -1.10 115.31 119.82 2wm2 h LEU 87 Ca 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2wm2 h LEU 87 Cb -0.03 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.61 2wm2 h LEU 87 CO -0.02 0.39 -0.29 0.44 0.09 0.00 0.00 178.44 179.05 2wm2 h ASP 88 N 0.55 -0.68 -0.97 -0.43 3.32 -0.87 -0.89 116.42 116.45 2wm2 h ASP 88 Ca 0.14 0.02 0.31 0.00 0.02 0.00 0.00 57.03 57.53 2wm2 h ASP 88 Cb 0.02 0.18 -0.15 0.00 0.22 0.00 0.00 39.33 39.59 2wm2 h ASP 88 CO -0.02 -0.29 0.43 1.56 -1.72 0.00 0.00 179.24 179.20 2wm2 h GLN 89 N -1.20 0.21 -0.00 3.56 4.20 -1.05 1.45 115.11 122.28 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 0.62 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2wm2 h GLN 89 CO 0.14 0.14 -0.00 1.28 -0.67 0.00 0.00 178.83 179.71 2wm2 n LEU 90 N -5.17 0.04 -3.58 1.46 4.77 -0.44 -4.93 117.00 109.16 2wm2 n LEU 90 Ca 0.29 0.12 -0.25 0.00 -0.03 0.00 0.00 56.01 56.15 2wm2 n LEU 90 Cb 0.93 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.95 2wm2 n LEU 90 CO 0.06 0.01 0.18 0.61 -1.33 0.00 0.00 177.39 176.92 2wm2 n GLY 91 N 1.15 -0.54 3.81 -0.72 0.00 0.50 -4.98 105.19 104.40 2wm2 n GLY 91 Ca 0.19 0.23 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.29 5.39 -0.01 1.61 1.01 -0.37 -5.03 120.40 119.72 2wm2 s VAL 92 Ca 0.57 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 2wm2 s VAL 92 Cb -0.26 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2wm2 s VAL 92 CO 0.70 0.53 -0.02 1.21 0.00 0.00 0.00 175.10 177.52 2wm2 n GLU 93 N 2.63 0.03 -3.72 2.72 4.07 -1.26 -4.61 120.64 120.51 2wm2 n GLU 93 Ca -0.17 0.01 -0.35 0.00 -0.06 0.00 0.00 57.16 56.59 2wm2 n GLU 93 Cb 0.53 -0.45 -0.08 0.00 -0.06 0.00 0.00 31.44 31.38 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 -1.13 5.40 0.04 6.31 -1.32 -1.26 -4.79 115.64 118.89 2wm2 s THR 94 Ca -0.02 0.25 -0.01 0.00 -1.21 0.00 0.00 61.69 60.69 2wm2 s THR 94 Cb 0.00 -3.49 -0.03 0.00 -1.51 0.00 0.00 72.50 67.48 2wm2 s THR 94 CO 0.02 0.45 -0.01 0.72 -2.21 0.00 0.00 174.62 173.60 2wm2 s PHE 95 N 0.24 0.36 -0.41 9.09 -0.12 -0.75 -1.72 117.98 124.66 2wm2 s PHE 95 Ca 0.10 -0.76 -0.07 0.00 -0.05 0.00 0.00 56.93 56.15 2wm2 s PHE 95 Cb -0.11 -0.27 0.09 0.00 -0.63 0.00 0.00 43.02 42.10 2wm2 s PHE 95 CO -0.01 -0.30 0.24 -1.17 -0.05 0.00 0.00 175.22 173.93 2wm2 s LEU 96 N -2.21 5.13 0.23 -1.99 2.96 0.45 -4.34 118.68 118.91 2wm2 s LEU 96 Ca -0.04 -1.63 -0.30 0.00 -0.22 0.00 0.00 54.13 51.94 2wm2 s LEU 96 Cb -0.01 -1.94 -0.09 0.00 0.50 0.00 0.00 46.19 44.66 2wm2 s LEU 96 CO -0.06 -0.53 1.06 -2.16 -1.32 0.00 0.00 176.35 173.34 2wm2 s PRO 97 N 1.35 4.67 -0.09 0.98 0.04 -1.26 -1.32 135.00 139.38 2wm2 s PRO 97 Ca 0.04 1.70 -0.00 0.00 0.04 0.00 0.00 61.00 62.78 2wm2 s PRO 97 Cb -0.23 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.09 2wm2 s PRO 97 CO 0.00 0.23 -0.06 0.08 0.04 0.00 0.00 177.00 177.30 2wm2 s VAL 98 N -0.84 0.81 0.14 -0.36 1.01 0.11 -1.95 120.40 119.32 2wm2 s VAL 98 Ca 0.45 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.32 2wm2 s VAL 98 Cb -0.30 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2wm2 s VAL 98 CO 0.37 0.32 -0.03 -0.94 0.00 0.00 0.00 175.10 174.82 2wm2 s SER 99 N 1.54 4.73 -0.18 3.32 1.04 -0.49 -0.57 113.70 123.10 2wm2 s SER 99 Ca 0.00 -0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.02 2wm2 s SER 99 Cb -0.13 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.94 2wm2 s SER 99 CO -0.05 0.13 0.06 -2.28 0.98 0.00 0.00 173.24 172.08 2wm2 s HIS 100 N -1.50 3.24 0.00 5.02 2.46 -1.08 -0.17 115.29 123.26 2wm2 s HIS 100 Ca 0.25 0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.84 2wm2 s HIS 100 Cb -0.10 -2.07 0.00 0.00 -0.13 0.00 0.00 32.58 30.27 2wm2 s HIS 100 CO 0.17 0.15 0.00 0.45 -2.47 0.00 0.00 174.74 173.04 2wm2 n SER 101 N 3.53 0.00 0.00 9.88 2.88 0.45 -1.34 113.62 129.03 2wm2 n SER 101 Ca -0.17 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.39 2wm2 n SER 101 Cb 0.52 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.06 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 0.40 0.66 -0.00 -1.26 -1.23 115.22 127.79 2wm2 n HIS 102 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 2wm2 n HIS 102 Cb 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 29.99 30.23 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 0.44 -0.83 0.19 -1.41 0.00 -0.45 -3.27 105.19 99.86 2wm2 n GLY 103 Ca 0.02 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 1.84 0.00 1.02 -0.02 0.00 -1.34 -0.81 103.07 103.76 2wm2 h GLY 104 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2wm2 h GLY 104 CO 0.00 0.00 0.37 1.49 0.00 0.00 0.00 176.54 178.40 2wm2 h TRP 105 N 0.00 1.06 0.10 5.60 4.06 -1.81 0.82 115.95 125.78 2wm2 h TRP 105 Ca -0.00 -0.05 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 2wm2 h TRP 105 Cb 0.61 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 2wm2 h TRP 105 CO 0.00 0.78 -0.05 0.28 -3.56 0.00 0.00 178.44 175.89 2wm2 h VAL 106 N 1.04 0.91 -0.86 1.49 2.07 -1.63 -2.51 116.25 116.77 2wm2 h VAL 106 Ca 0.26 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.76 2wm2 h VAL 106 Cb 0.10 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 2wm2 h VAL 106 CO -0.03 0.01 0.55 0.25 0.02 0.00 0.00 177.57 178.37 2wm2 h LEU 107 N -0.16 0.91 -0.35 2.57 6.46 -0.72 0.33 115.31 124.34 2wm2 h LEU 107 Ca -0.01 -0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.56 2wm2 h LEU 107 Cb 0.13 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2wm2 h LEU 107 CO 0.02 0.62 -0.83 0.58 -0.62 0.00 0.00 178.44 178.21 2wm2 h VAL 108 N 1.06 1.51 0.00 1.05 2.07 -0.84 -0.89 116.25 120.21 2wm2 h VAL 108 Ca 0.34 -2.59 -0.18 0.00 0.82 0.00 0.00 66.70 65.09 2wm2 h VAL 108 Cb 0.02 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 2wm2 h VAL 108 CO -0.12 0.75 -0.85 -0.08 0.02 0.00 0.00 177.57 177.29 2wm2 h GLU 109 N 0.08 0.00 -0.35 1.57 4.57 -1.25 -3.01 114.58 116.19 2wm2 h GLU 109 Ca -0.03 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 2wm2 h GLU 109 Cb 1.44 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.02 2wm2 h GLU 109 CO 0.12 0.85 -0.02 1.25 -1.18 0.00 0.00 179.01 180.03 2wm2 h LEU 110 N 0.00 0.63 -0.83 1.64 5.85 -0.14 -1.39 115.31 121.06 2wm2 h LEU 110 Ca -0.01 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.50 2wm2 h LEU 110 Cb 1.54 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.33 2wm2 h LEU 110 CO 0.11 0.80 0.47 -0.07 -0.34 0.00 0.00 178.44 179.41 2wm2 h LEU 111 N 0.45 0.66 0.08 2.25 3.38 -1.23 -1.25 115.31 119.64 2wm2 h LEU 111 Ca 0.10 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wm2 h LEU 111 Cb 0.48 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2wm2 h LEU 111 CO 0.02 0.36 -0.04 -0.08 0.09 0.00 0.00 178.44 178.79 2wm2 h GLU 112 N 0.77 -0.11 -0.00 1.13 4.57 -1.33 -0.98 114.58 118.63 2wm2 h GLU 112 Ca 0.41 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.60 2wm2 h GLU 112 Cb 0.42 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2wm2 h GLU 112 CO -0.27 0.18 -0.00 1.96 -1.18 0.00 0.00 179.01 179.71 2wm2 h GLN 113 N -0.40 0.00 0.00 1.92 7.50 -1.15 -3.21 115.11 119.77 2wm2 h GLN 113 Ca -0.01 -0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.08 2wm2 h GLN 113 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 2wm2 h GLN 113 CO 0.02 0.52 -0.29 0.00 -1.50 0.00 0.00 178.83 177.58 2wm2 h ALA 114 N 0.48 1.05 -1.05 3.87 0.00 -1.35 -3.50 119.26 118.76 2wm2 h ALA 114 Ca 0.00 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.76 2wm2 h ALA 114 Cb 0.52 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2wm2 h ALA 114 CO 0.00 0.36 -0.33 0.41 0.00 0.00 0.00 179.25 179.69 2wm2 n GLY 115 N 0.09 -2.49 0.12 0.00 0.00 -0.37 -4.05 105.19 98.48 2wm2 n GLY 115 Ca -0.00 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.90 0.19 0.12 1.61 -0.04 -1.26 -0.87 135.00 131.85 2wm2 n PRO 116 Ca -0.02 0.38 -0.22 0.00 -0.04 0.00 0.00 63.50 63.59 2wm2 n PRO 116 Cb 0.21 -1.83 -0.15 0.00 -0.04 0.00 0.00 33.50 31.69 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 0.07 0.54 5.08 -1.96 -3.07 114.58 115.68 2wm2 h GLU 117 Ca 0.00 -0.76 -0.00 0.00 -1.00 0.00 0.00 59.36 57.59 2wm2 h GLU 117 Cb 0.40 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2wm2 h GLU 117 CO 0.00 1.36 -0.03 0.00 -1.00 0.00 0.00 179.01 179.33 2wm2 h ARG 118 N 0.12 -0.08 -3.38 2.33 3.08 -1.63 -3.43 114.38 111.40 2wm2 h ARG 118 Ca -0.26 0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.15 2wm2 h ARG 118 Cb 2.12 0.02 -0.40 0.00 0.08 0.00 0.00 29.97 31.79 2wm2 h ARG 118 CO 0.24 0.44 -0.53 0.00 -1.07 0.00 0.00 179.97 179.04 2wm2 s ALA 119 N -2.94 3.49 -0.11 0.04 0.00 -0.05 -1.81 121.76 120.39 2wm2 s ALA 119 Ca -0.12 -3.39 0.23 0.00 0.00 0.00 0.00 51.96 48.68 2wm2 s ALA 119 Cb -0.01 -2.31 0.59 0.00 0.00 0.00 0.00 23.12 21.39 2wm2 s ALA 119 CO 0.44 -2.06 1.68 -1.00 0.00 0.00 0.00 175.76 174.83 2wm2 h PRO 120 N 6.43 0.00 -4.17 0.00 0.13 -1.73 -3.36 132.00 129.30 2wm2 h PRO 120 Ca -0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.95 2wm2 h PRO 120 Cb 0.88 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.89 2wm2 h PRO 120 CO 0.71 0.21 -0.40 1.03 -0.23 0.00 0.00 178.00 179.31 2wm2 s ARG 121 N -3.34 1.35 -0.19 0.86 0.52 -1.26 -4.14 118.95 112.75 2wm2 s ARG 121 Ca 0.03 -1.46 -0.23 0.00 -0.52 0.00 0.00 55.73 53.55 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 -0.50 0.61 0.20 0.02 0.00 0.00 175.30 176.30 2wm2 s GLY 122 N -3.10 -0.47 -0.14 -3.53 0.00 -0.94 -4.15 107.32 94.98 2wm2 s GLY 122 Ca 0.32 1.61 -0.00 0.00 0.00 0.00 0.00 44.72 46.64 2wm2 s GLY 122 CO 0.11 1.35 -0.13 -0.42 0.00 0.00 0.00 173.10 174.01 2wm2 s ILE 123 N -0.00 2.94 -0.12 0.90 1.01 -0.82 -2.03 121.20 123.07 2wm2 s ILE 123 Ca -0.02 -0.69 -0.01 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 0.02 0.51 -0.06 0.27 0.00 0.00 0.00 174.94 175.68 2wm2 s ILE 124 N 0.59 3.69 -0.13 2.92 -4.36 -0.59 -1.39 121.20 121.93 2wm2 s ILE 124 Ca -0.08 -0.45 -0.03 0.00 -0.26 0.00 0.00 60.65 59.83 2wm2 s ILE 124 Cb -0.16 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 2wm2 s ILE 124 CO 0.03 0.54 -0.03 -0.04 0.24 0.00 0.00 174.94 175.68 2wm2 s MET 125 N -0.07 3.38 -0.42 0.37 -1.94 0.75 -1.70 119.30 119.68 2wm2 s MET 125 Ca 0.01 -0.49 -0.18 0.00 -1.71 0.00 0.00 55.69 53.31 2wm2 s MET 125 Cb -0.13 -2.85 0.03 0.00 2.01 0.00 0.00 34.83 33.89 2wm2 s MET 125 CO 0.03 0.41 0.46 -3.47 -0.01 0.00 0.00 175.02 172.45 2wm2 n ASP 126 N 3.01 -3.74 -3.78 3.03 -0.08 -0.10 -0.41 116.55 114.48 2wm2 n ASP 126 Ca -0.18 -0.34 -0.23 0.00 -1.51 0.00 0.00 54.79 52.53 2wm2 n ASP 126 Cb 0.53 -1.14 -0.17 0.00 2.34 0.00 0.00 41.12 42.67 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 -1.66 0.73 -0.31 -0.67 -0.00 -1.26 -3.15 118.94 112.62 2wm2 s TRP 127 Ca 0.18 -0.23 -0.27 0.00 -0.00 0.00 0.00 56.10 55.77 2wm2 s TRP 127 Cb -0.02 -0.84 -0.06 0.00 -0.00 0.00 0.00 33.47 32.56 2wm2 s TRP 127 CO 0.64 -0.35 2.29 -0.51 -0.00 0.00 0.00 176.95 179.02 2wm2 s LEU 128 N 1.95 3.42 0.47 5.86 1.43 -1.26 -4.85 118.68 125.71 2wm2 s LEU 128 Ca 0.05 1.61 0.27 0.00 -1.03 0.00 0.00 54.13 55.03 2wm2 s LEU 128 Cb -0.12 -3.17 0.82 0.00 0.03 0.00 0.00 46.19 43.75 2wm2 s LEU 128 CO -0.06 -2.29 1.78 0.24 0.23 0.00 0.00 176.35 176.25 2wm2 h MET 129 N 16.70 0.00 -6.36 1.70 2.86 -1.98 -3.43 114.93 124.41 2wm2 h MET 129 Ca -0.35 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 56.82 2wm2 h MET 129 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 2wm2 h MET 129 CO 1.03 0.08 -0.31 1.67 1.06 0.00 0.00 176.91 180.44 2wm2 s TRP 130 N -3.44 3.44 0.48 -0.22 -2.14 -1.26 -4.03 118.94 111.76 2wm2 s TRP 130 Ca 0.03 0.14 -0.23 0.00 2.66 0.00 0.00 56.10 58.70 2wm2 s TRP 130 Cb 0.08 -1.77 -0.07 0.00 -3.10 0.00 0.00 33.47 28.61 2wm2 s TRP 130 CO 0.62 0.24 1.28 0.00 -2.66 0.00 0.00 176.95 176.43 2wm2 s ALA 131 N -2.16 2.98 0.01 2.67 0.00 -1.26 -4.84 121.76 119.16 2wm2 s ALA 131 Ca 0.38 1.17 -0.36 0.00 0.00 0.00 0.00 51.96 53.15 2wm2 s ALA 131 Cb -0.09 -3.48 -0.15 0.00 0.00 0.00 0.00 23.12 19.40 2wm2 s ALA 131 CO 0.33 -0.99 1.59 -2.30 0.00 0.00 0.00 175.76 174.38 2wm2 n PRO 132 N -0.57 1.66 -1.61 0.00 -0.02 -1.26 -4.99 135.00 128.20 2wm2 n PRO 132 Ca 0.08 0.60 -0.31 0.00 -2.02 0.00 0.00 63.50 61.85 2wm2 n PRO 132 Cb 0.46 -2.33 0.05 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.82 2.98 0.25 -0.52 -0.14 -1.26 -4.73 119.74 118.14 2wm2 s LYS 133 Ca 0.87 0.91 -0.03 0.00 -1.36 0.00 0.00 55.97 56.36 2wm2 s LYS 133 Cb -0.84 -2.00 0.51 0.00 -1.68 0.00 0.00 37.83 33.83 2wm2 s LYS 133 CO 0.48 -1.06 1.69 -1.35 -0.76 0.00 0.00 175.35 174.36 2wm2 h PRO 134 N -0.68 0.30 0.02 -1.68 0.11 -1.98 0.52 132.00 128.61 2wm2 h PRO 134 Ca -0.44 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2wm2 h PRO 134 Cb 1.21 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2wm2 h PRO 134 CO 0.58 0.20 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.97 2wm2 h ASP 135 N 0.31 -0.45 -0.37 -2.05 5.19 -1.99 0.24 116.42 117.30 2wm2 h ASP 135 Ca 0.44 0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.82 2wm2 h ASP 135 Cb 0.77 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 2wm2 h ASP 135 CO -0.51 -0.22 -0.14 0.15 -3.12 0.00 0.00 179.24 175.41 2wm2 h PHE 136 N -0.27 0.86 -0.52 4.55 3.57 -1.80 -2.25 116.94 121.07 2wm2 h PHE 136 Ca 0.05 -0.20 0.08 0.00 3.53 0.00 0.00 57.97 61.42 2wm2 h PHE 136 Cb 0.33 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 2wm2 h PHE 136 CO -0.20 0.92 0.17 0.00 -2.23 0.00 0.00 178.31 176.97 2wm2 h ALA 137 N 0.81 0.64 -0.87 2.41 0.00 -0.72 0.10 119.26 121.63 2wm2 h ALA 137 Ca 0.09 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2wm2 h ALA 137 Cb 0.67 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2wm2 h ALA 137 CO 0.05 -0.23 0.57 -0.22 0.00 0.00 0.00 179.25 179.42 2wm2 h LYS 138 N 0.34 0.90 -0.53 0.00 1.63 -0.36 -2.03 116.57 116.53 2wm2 h LYS 138 Ca 0.26 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 2wm2 h LYS 138 Cb 0.30 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2wm2 h LYS 138 CO -0.27 0.60 0.18 0.77 -3.45 0.00 0.00 179.45 177.27 2wm2 h SER 139 N 0.93 0.76 -0.67 4.20 0.02 -0.39 -1.38 113.55 117.01 2wm2 h SER 139 Ca 0.39 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 2wm2 h SER 139 Cb 0.29 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2wm2 h SER 139 CO -0.15 0.75 0.16 -0.07 -1.14 0.00 0.00 176.83 176.39 2wm2 h LEU 140 N 0.72 1.03 -0.09 5.07 3.38 -0.95 0.19 115.31 124.66 2wm2 h LEU 140 Ca 0.17 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2wm2 h LEU 140 Cb 0.26 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2wm2 h LEU 140 CO -0.01 0.99 -0.24 0.74 0.09 0.00 0.00 178.44 180.01 2wm2 h THR 141 N 1.03 0.43 -0.24 0.22 2.02 -1.11 -1.88 112.91 113.39 2wm2 h THR 141 Ca 0.22 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.42 2wm2 h THR 141 Cb 0.36 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2wm2 h THR 141 CO 0.00 0.00 0.09 -0.07 0.37 0.00 0.00 175.52 175.91 2wm2 h LEU 142 N -0.32 0.11 -0.88 2.58 4.07 -0.85 -2.74 115.31 117.28 2wm2 h LEU 142 Ca 0.09 0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.23 2wm2 h LEU 142 Cb 0.45 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.10 2wm2 h LEU 142 CO -0.28 0.10 0.46 -0.07 -1.08 0.00 0.00 178.44 177.57 2wm2 h LEU 143 N 0.21 0.55 -0.81 1.67 3.38 -0.35 -1.52 115.31 118.44 2wm2 h LEU 143 Ca 0.10 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wm2 h LEU 143 Cb 0.06 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2wm2 h LEU 143 CO -0.10 0.21 0.00 0.11 0.09 0.00 0.00 178.44 178.76 2wm2 h LYS 144 N 0.63 0.00 -5.89 1.13 1.57 -1.04 -3.33 116.57 109.64 2wm2 h LYS 144 Ca 0.49 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.67 2wm2 h LYS 144 Cb 0.72 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.94 2wm2 h LYS 144 CO -0.38 0.00 0.50 0.34 -0.57 0.00 0.00 179.45 179.34 2wm2 s ASP 145 N -5.09 6.72 0.21 0.86 -1.08 -0.57 -4.92 116.67 112.79 2wm2 s ASP 145 Ca 0.04 0.73 0.17 0.00 -0.52 0.00 0.00 52.55 52.97 2wm2 s ASP 145 Cb 0.09 -2.44 0.84 0.00 -1.46 0.00 0.00 42.92 39.95 2wm2 s ASP 145 CO 0.51 -0.68 1.52 -0.81 0.52 0.00 0.00 175.17 176.23 2wm2 n PRO 146 N 6.37 0.11 0.06 4.34 -0.04 -1.26 -1.33 135.00 143.25 2wm2 n PRO 146 Ca 0.06 0.52 0.04 0.00 -0.04 0.00 0.00 63.50 64.08 2wm2 n PRO 146 Cb 0.48 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.03 0.61 -0.30 0.54 -0.58 -1.26 -4.53 120.64 113.09 2wm2 n GLU 147 Ca 0.00 0.19 0.03 0.00 -0.42 0.00 0.00 57.16 56.96 2wm2 n GLU 147 Cb 0.08 -1.82 0.05 0.00 -0.57 0.00 0.00 31.44 29.18 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 -2.81 0.54 -0.02 3.49 1.74 -0.83 -4.86 116.66 113.91 2wm2 n ARG 148 Ca -0.06 -1.51 -0.02 0.00 -0.77 0.00 0.00 57.85 55.49 2wm2 n ARG 148 Cb 0.73 -0.85 0.24 0.00 -1.02 0.00 0.00 32.46 31.56 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 0.61 -0.14 -1.55 5.08 -1.26 -0.30 115.95 118.40 2wm2 h TRP 149 Ca 0.00 -0.08 -0.20 0.00 1.08 0.00 0.00 58.89 59.69 2wm2 h TRP 149 Cb 1.21 -0.17 0.01 0.00 -3.00 0.00 0.00 29.16 27.21 2wm2 h TRP 149 CO 0.06 0.63 -0.68 -0.09 -1.28 0.00 0.00 178.44 177.08 2wm2 h ARG 150 N 0.54 0.71 -0.89 0.12 2.43 -1.88 -1.19 114.38 114.21 2wm2 h ARG 150 Ca 0.10 -0.57 0.10 0.00 -0.81 0.00 0.00 59.98 58.80 2wm2 h ARG 150 Cb 0.45 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 2wm2 h ARG 150 CO 0.02 1.19 0.57 1.49 -1.51 0.00 0.00 179.97 181.73 2wm2 h GLU 151 N 0.40 0.84 0.12 0.20 4.81 -1.87 -1.83 114.58 117.25 2wm2 h GLU 151 Ca -0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2wm2 h GLU 151 Cb 1.32 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2wm2 h GLU 151 CO 0.14 0.55 -0.06 0.78 -0.73 0.00 0.00 179.01 179.70 2wm2 h GLY 152 N 0.86 -0.17 1.48 1.92 0.00 -0.49 -2.50 103.07 104.17 2wm2 h GLY 152 Ca 0.41 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.78 2wm2 h GLY 152 CO -0.18 -0.06 0.18 -0.91 0.00 0.00 0.00 176.54 175.57 2wm2 h THR 153 N -0.19 1.18 -0.13 4.70 1.35 -0.93 -2.67 112.91 116.22 2wm2 h THR 153 Ca -0.02 -0.57 -0.09 0.00 -0.55 0.00 0.00 66.41 65.18 2wm2 h THR 153 Cb 0.15 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 2wm2 h THR 153 CO 0.03 0.22 -0.33 0.45 -0.25 0.00 0.00 175.52 175.64 2wm2 h HIS 154 N 0.67 0.30 -0.35 4.73 -0.00 -1.24 -0.26 115.15 118.99 2wm2 h HIS 154 Ca 0.16 -0.07 -0.09 0.00 -0.00 0.00 0.00 60.37 60.37 2wm2 h HIS 154 Cb 0.15 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 2wm2 h HIS 154 CO 0.01 0.57 -0.16 0.78 -0.00 0.00 0.00 177.93 179.13 2wm2 h GLY 155 N 1.09 0.69 0.99 2.45 0.00 -1.12 -2.15 103.07 105.02 2wm2 h GLY 155 Ca 0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 2wm2 h GLY 155 CO 0.05 0.49 -0.45 1.41 0.00 0.00 0.00 176.54 178.04 2wm2 h LEU 156 N 0.58 0.76 -1.25 3.11 3.38 -1.16 -2.85 115.31 117.89 2wm2 h LEU 156 Ca 0.10 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.55 2wm2 h LEU 156 Cb 0.60 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2wm2 h LEU 156 CO 0.04 1.17 0.52 -0.26 0.09 0.00 0.00 178.44 180.00 2wm2 h PHE 157 N 0.38 0.94 0.61 1.13 0.04 -0.94 0.20 116.94 119.30 2wm2 h PHE 157 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2wm2 h PHE 157 Cb 1.05 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 2wm2 h PHE 157 CO 0.09 0.55 -0.48 -0.44 -0.60 0.00 0.00 178.31 177.43 2wm2 h ASP 158 N 0.97 -1.27 -0.45 2.17 3.32 -1.34 -1.78 116.42 118.05 2wm2 h ASP 158 Ca 0.31 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.52 2wm2 h ASP 158 Cb 0.04 0.40 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 2wm2 h ASP 158 CO -0.09 -0.68 0.12 0.58 -1.72 0.00 0.00 179.24 177.45 2wm2 h VAL 159 N -1.05 0.81 -0.74 -1.35 2.07 -1.20 -1.63 116.25 113.16 2wm2 h VAL 159 Ca -0.08 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 2wm2 h VAL 159 Cb 0.88 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2wm2 h VAL 159 CO 0.02 0.05 0.23 -0.50 0.02 0.00 0.00 177.57 177.39 2wm2 h TRP 160 N 0.27 1.18 0.00 1.57 6.55 -0.58 -2.03 115.95 122.92 2wm2 h TRP 160 Ca 0.22 -0.12 -0.03 0.00 0.95 0.00 0.00 58.89 59.91 2wm2 h TRP 160 Cb 0.24 -0.34 -0.00 0.00 -0.86 0.00 0.00 29.16 28.20 2wm2 h TRP 160 CO -0.18 0.93 -0.12 -0.07 -1.05 0.00 0.00 178.44 177.95 2wm2 h LEU 161 N 1.09 0.00 -1.56 -4.49 3.38 -1.15 -0.88 115.31 111.70 2wm2 h LEU 161 Ca 0.24 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.69 2wm2 h LEU 161 Cb 0.30 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 2wm2 h LEU 161 CO -0.01 0.12 -0.86 -0.67 0.09 0.00 0.00 178.44 177.12 2wm2 n ASP 162 N -3.15 -1.72 -0.10 -0.43 2.03 -0.63 -1.82 116.55 110.74 2wm2 n ASP 162 Ca 0.03 -0.98 -0.01 0.00 0.52 0.00 0.00 54.79 54.34 2wm2 n ASP 162 Cb 0.53 -3.05 -0.01 0.00 -0.72 0.00 0.00 41.12 37.88 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 -1.77 0.51 3.69 0.27 0.00 -1.26 -5.02 105.19 101.61 2wm2 n GLY 163 Ca -0.15 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 3.10 -1.08 1.61 3.76 -0.75 -5.01 115.29 114.91 2wm2 s HIS 164 Ca 0.00 0.10 -0.03 0.00 -0.15 0.00 0.00 55.06 54.98 2wm2 s HIS 164 Cb 0.00 -1.68 0.24 0.00 1.11 0.00 0.00 32.58 32.25 2wm2 s HIS 164 CO 0.00 0.47 2.09 -3.47 -0.85 0.00 0.00 174.74 172.98 2wm2 n ASP 165 N 1.39 7.57 -4.59 1.40 2.03 -1.26 -4.94 116.55 118.14 2wm2 n ASP 165 Ca -0.14 -3.49 -0.43 0.00 0.52 0.00 0.00 54.79 51.25 2wm2 n ASP 165 Cb 0.53 -1.23 -0.02 0.00 -0.72 0.00 0.00 41.12 39.67 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 -3.08 3.53 0.18 -0.67 2.56 -1.26 -4.93 118.70 115.03 2wm2 s GLU 166 Ca 0.46 0.63 -0.13 0.00 0.00 0.00 0.00 54.97 55.93 2wm2 s GLU 166 Cb 0.22 -4.02 0.18 0.00 2.00 0.00 0.00 34.13 32.51 2wm2 s GLU 166 CO -0.15 -1.64 1.70 -0.22 -0.56 0.00 0.00 175.26 174.39 2wm2 h LYS 167 N 10.32 0.16 -0.10 4.30 3.64 -2.00 -2.13 116.57 130.76 2wm2 h LYS 167 Ca -0.26 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 58.88 2wm2 h LYS 167 Cb 1.08 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2wm2 h LYS 167 CO 1.13 0.11 -0.86 0.00 -2.27 0.00 0.00 179.45 177.57 2wm2 h ARG 168 N 0.17 0.74 -0.01 1.90 3.08 -1.98 -2.75 114.38 115.52 2wm2 h ARG 168 Ca 0.25 -0.66 -0.12 0.00 0.07 0.00 0.00 59.98 59.52 2wm2 h ARG 168 Cb 0.35 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2wm2 h ARG 168 CO -0.36 1.26 -0.55 0.28 -1.07 0.00 0.00 179.97 179.52 2wm2 h VAL 169 N 0.48 1.40 -0.20 2.04 2.07 -1.94 -2.53 116.25 117.57 2wm2 h VAL 169 Ca -0.07 -1.90 -0.14 0.00 0.82 0.00 0.00 66.70 65.41 2wm2 h VAL 169 Cb 1.49 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 2wm2 h VAL 169 CO 0.17 0.54 -0.46 0.03 0.02 0.00 0.00 177.57 177.88 2wm2 h ARG 170 N 0.02 0.49 -0.66 1.57 3.08 -1.38 -2.30 114.38 115.21 2wm2 h ARG 170 Ca -0.00 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 2wm2 h ARG 170 Cb 0.99 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 2wm2 h ARG 170 CO 0.07 0.85 0.17 1.25 -1.07 0.00 0.00 179.97 181.24 2wm2 h HIS 171 N 0.40 1.10 -0.06 3.04 2.76 -1.31 -0.57 115.15 120.51 2wm2 h HIS 171 Ca 0.03 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.06 2wm2 h HIS 171 Cb 0.96 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 2wm2 h HIS 171 CO 0.03 0.91 0.03 1.25 -1.30 0.00 0.00 177.93 178.85 2wm2 h HIS 172 N 0.98 0.09 -0.43 5.26 -0.00 -1.29 -0.65 115.15 119.10 2wm2 h HIS 172 Ca 0.21 -0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.44 2wm2 h HIS 172 Cb 0.36 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2wm2 h HIS 172 CO 0.03 0.19 -0.24 -0.07 -0.00 0.00 0.00 177.93 177.83 2wm2 h LEU 173 N -0.04 0.96 0.00 0.26 3.38 -1.33 -0.72 115.31 117.82 2wm2 h LEU 173 Ca 0.02 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2wm2 h LEU 173 Cb 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2wm2 h LEU 173 CO -0.00 1.17 -1.49 0.18 0.09 0.00 0.00 178.44 178.39 2wm2 n LEU 174 N -4.15 0.40 -0.01 1.67 4.77 -0.23 -4.08 117.00 115.37 2wm2 n LEU 174 Ca -0.01 0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2wm2 n LEU 174 Cb 0.47 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2wm2 n LEU 174 CO 0.46 -0.00 -0.59 1.21 -1.33 0.00 0.00 177.39 177.14 2wm2 n GLU 175 N -2.20 0.06 0.21 3.23 4.07 -0.29 -4.41 120.64 121.31 2wm2 n GLU 175 Ca -0.01 0.03 0.12 0.00 -0.06 0.00 0.00 57.16 57.24 2wm2 n GLU 175 Cb 0.51 -0.61 0.22 0.00 -0.06 0.00 0.00 31.44 31.51 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 -0.11 0.00 -0.12 5.31 5.08 -1.03 -3.08 114.58 120.64 2wm2 h GLU 176 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2wm2 h GLU 176 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2wm2 h GLU 176 CO -0.04 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.64 2wm2 n MET 177 N -2.99 1.81 -0.33 2.33 2.81 -0.31 -4.67 117.12 115.76 2wm2 n MET 177 Ca 0.04 -1.76 -0.03 0.00 -1.81 0.00 0.00 57.70 54.14 2wm2 n MET 177 Cb 0.51 -1.38 0.09 0.00 -0.71 0.00 0.00 33.22 31.73 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 3.63 1.13 0.00 3.04 0.00 -1.70 -2.86 119.26 122.49 2wm2 h ALA 178 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wm2 h ALA 178 Cb 0.80 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2wm2 h ALA 178 CO 0.00 0.54 0.00 -0.25 0.00 0.00 0.00 179.25 179.54 2wm2 n ASP 179 N -4.45 0.58 -4.66 0.00 8.00 -1.26 -4.73 116.55 110.03 2wm2 n ASP 179 Ca 0.10 0.61 -0.43 0.00 0.71 0.00 0.00 54.79 55.77 2wm2 n ASP 179 Cb 0.02 -0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 40.36 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 -3.19 3.16 0.00 1.24 1.51 -1.08 -4.81 117.35 114.18 2wm2 s TYR 180 Ca 0.07 1.29 0.00 0.00 -1.01 0.00 0.00 57.07 57.42 2wm2 s TYR 180 Cb 0.11 -3.42 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 2wm2 s TYR 180 CO 0.45 -0.87 0.00 0.41 -1.11 0.00 0.00 175.55 174.43 2wm2 n GLY 181 N 3.52 1.74 0.25 0.71 0.00 -1.26 -4.92 105.19 105.23 2wm2 n GLY 181 Ca 0.13 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.03 0.00 -0.90 1.61 3.20 -1.98 -2.52 116.97 116.35 2wm2 h TYR 182 Ca 0.00 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 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 0.13 0.59 0.22 -1.64 0.00 0.00 178.16 177.46 2wm2 h ASP 183 N 0.00 0.91 0.02 -2.11 3.58 -1.99 0.19 116.42 117.02 2wm2 h ASP 183 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2wm2 h ASP 183 Cb 0.31 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2wm2 h ASP 183 CO 0.02 0.59 -0.01 0.00 -2.88 0.00 0.00 179.24 176.96 2wm2 h TRP 185 N -0.98 1.18 -0.47 0.00 4.06 -1.37 0.13 115.95 118.49 2wm2 h TRP 185 Ca -0.00 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 2wm2 h TRP 185 Cb 0.52 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 2wm2 h TRP 185 CO 0.14 0.88 0.26 0.78 -3.56 0.00 0.00 178.44 176.93 2wm2 h GLY 186 N 1.14 0.71 1.00 1.49 0.00 -0.74 -2.28 103.07 104.39 2wm2 h GLY 186 Ca 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2wm2 h GLY 186 CO -0.03 0.31 0.41 -0.09 0.00 0.00 0.00 176.54 177.14 2wm2 h ARG 187 N 0.63 0.96 -0.52 4.80 2.43 -1.28 -2.09 114.38 119.30 2wm2 h ARG 187 Ca 0.17 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2wm2 h ARG 187 Cb 0.05 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 2wm2 h ARG 187 CO -0.03 0.70 0.21 0.66 -1.51 0.00 0.00 179.97 179.99 2wm2 h SER 188 N 0.96 0.72 -0.52 -3.80 4.64 -0.68 -0.81 113.55 114.05 2wm2 h SER 188 Ca 0.25 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.44 2wm2 h SER 188 Cb -0.01 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 61.85 2wm2 h SER 188 CO -0.04 0.70 0.26 1.23 -0.87 0.00 0.00 176.83 178.11 2wm2 h GLY 189 N 0.70 0.73 0.97 -0.77 0.00 -1.15 -0.46 103.07 103.10 2wm2 h GLY 189 Ca 0.17 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 2wm2 h GLY 189 CO -0.01 0.11 -0.32 3.21 0.00 0.00 0.00 176.54 179.54 2wm2 h ARG 190 N 0.51 0.69 -0.19 4.80 3.08 -1.14 -2.34 114.38 119.79 2wm2 h ARG 190 Ca 0.23 -0.38 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 2wm2 h ARG 190 Cb 0.14 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2wm2 h ARG 190 CO -0.16 1.00 -0.21 0.28 -1.07 0.00 0.00 179.97 179.81 2wm2 h VAL 191 N 0.42 1.33 -0.24 2.04 2.07 -1.05 -1.67 116.25 119.16 2wm2 h VAL 191 Ca 0.04 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 2wm2 h VAL 191 Cb 0.89 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2wm2 h VAL 191 CO 0.08 0.42 0.14 0.40 0.02 0.00 0.00 177.57 178.62 2wm2 h ILE 192 N 0.13 1.10 -0.65 4.57 2.04 -1.15 0.27 117.51 123.82 2wm2 h ILE 192 Ca 0.03 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2wm2 h ILE 192 Cb 0.76 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2wm2 h ILE 192 CO 0.05 0.10 0.36 -0.08 0.00 0.00 0.00 178.15 178.58 2wm2 h GLU 193 N 0.29 0.90 -0.29 2.37 4.81 -1.44 -1.83 114.58 119.38 2wm2 h GLU 193 Ca 0.08 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2wm2 h GLU 193 Cb 0.04 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2wm2 h GLU 193 CO -0.02 0.67 -0.08 0.22 -0.73 0.00 0.00 179.01 179.07 2wm2 h ASP 194 N 0.88 0.45 -0.32 1.04 3.58 -1.14 -2.21 116.42 118.71 2wm2 h ASP 194 Ca 0.23 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 2wm2 h ASP 194 Cb 0.03 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2wm2 h ASP 194 CO -0.04 0.59 0.06 0.00 -2.88 0.00 0.00 179.24 176.96 2wm2 h ALA 195 N 1.47 0.42 0.40 -0.78 0.00 0.29 -2.09 119.26 118.97 2wm2 h ALA 195 Ca 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2wm2 h ALA 195 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wm2 h ALA 195 CO 0.02 0.11 -0.19 1.88 0.00 0.00 0.00 179.25 181.07 2wm2 h TYR 196 N 0.35 -0.50 -0.91 0.00 -1.99 -1.32 -1.95 116.97 110.65 2wm2 h TYR 196 Ca 0.10 -0.01 0.18 0.00 2.00 0.00 0.00 58.73 60.99 2wm2 h TYR 196 Cb 0.33 0.17 -0.07 0.00 2.00 0.00 0.00 36.73 39.16 2wm2 h TYR 196 CO 0.02 -0.21 0.59 0.78 -0.00 0.00 0.00 178.16 179.34 2wm2 h GLY 197 N -0.73 1.13 0.51 3.88 0.00 -1.41 1.31 103.07 107.76 2wm2 h GLY 197 Ca -0.06 -0.25 -0.25 0.00 0.00 0.00 0.00 47.33 46.77 2wm2 h GLY 197 CO 0.09 0.02 -1.91 -0.96 0.00 0.00 0.00 176.54 173.79 2wm2 n ARG 198 N -4.57 0.65 -0.02 4.80 1.85 -0.79 -4.15 116.66 114.43 2wm2 n ARG 198 Ca 0.19 0.10 0.08 0.00 -1.00 0.00 0.00 57.85 57.22 2wm2 n ARG 198 Cb 0.59 -1.67 0.08 0.00 -1.05 0.00 0.00 32.46 30.41 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 -2.80 2.35 0.00 2.89 5.03 -0.74 -5.02 115.26 116.98 2wm2 n ASN 199 Ca -0.19 -1.66 0.00 0.00 0.87 0.00 0.00 54.58 53.60 2wm2 n ASN 199 Cb 0.97 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.70 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 0.85 1.29 3.71 7.41 0.00 0.45 -3.95 105.19 114.94 2wm2 n GLY 200 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.24 0.23 1.61 1.04 -1.25 -4.56 113.70 110.53 2wm2 s SER 201 Ca 0.00 -0.35 -0.07 0.00 0.48 0.00 0.00 55.95 56.01 2wm2 s SER 201 Cb 0.00 0.51 0.32 0.00 0.10 0.00 0.00 66.02 66.95 2wm2 s SER 201 CO 0.00 -0.92 1.81 -0.65 0.98 0.00 0.00 173.24 174.46 2wm2 h PRO 202 N 2.00 0.73 -0.43 4.02 0.11 -1.84 -0.75 132.00 135.84 2wm2 h PRO 202 Ca -0.23 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.84 2wm2 h PRO 202 Cb 1.24 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2wm2 h PRO 202 CO 0.27 0.48 0.27 0.52 -0.21 0.00 0.00 178.00 179.33 2wm2 h MET 203 N 0.75 0.54 -0.67 1.05 2.86 -1.94 0.68 114.93 118.21 2wm2 h MET 203 Ca 0.35 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.89 2wm2 h MET 203 Cb 0.27 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2wm2 h MET 203 CO -0.21 0.36 0.17 1.96 1.06 0.00 0.00 176.91 180.24 2wm2 h GLN 204 N 0.56 1.06 -0.22 1.72 4.20 -1.77 -1.36 115.11 119.30 2wm2 h GLN 204 Ca 0.16 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2wm2 h GLN 204 Cb -0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2wm2 h GLN 204 CO -0.05 0.95 0.08 1.98 -0.67 0.00 0.00 178.83 181.12 2wm2 h MET 205 N 0.99 0.34 -0.68 1.46 4.05 -0.76 -1.46 114.93 118.87 2wm2 h MET 205 Ca 0.21 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 2wm2 h MET 205 Cb 0.36 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 2wm2 h MET 205 CO 0.00 0.41 0.21 0.52 0.23 0.00 0.00 176.91 178.28 2wm2 h MET 206 N 0.20 1.05 0.00 0.39 2.86 -0.80 -2.52 114.93 116.10 2wm2 h MET 206 Ca 0.07 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 2wm2 h MET 206 Cb 0.21 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2wm2 h MET 206 CO -0.00 0.90 -0.29 0.00 1.06 0.00 0.00 176.91 178.58 2wm2 h ALA 207 N 1.21 1.08 -0.11 6.32 0.00 -1.11 -3.05 119.26 123.59 2wm2 h ALA 207 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wm2 h ALA 207 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wm2 h ALA 207 CO -0.01 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.69 2wm2 n ASN 208 N -3.55 1.21 -4.74 0.00 3.02 -0.56 -4.91 115.26 105.72 2wm2 n ASN 208 Ca -0.01 -1.61 -0.42 0.00 -0.03 0.00 0.00 54.58 52.51 2wm2 n ASN 208 Cb 0.43 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.52 2wm2 n ASN 208 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wm2 n LEU 209 N 0.01 4.31 0.06 3.41 4.77 -1.16 -4.90 117.00 123.51 2wm2 n LEU 209 Ca 0.16 1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 57.21 2wm2 n LEU 209 Cb 0.26 -1.58 -0.05 0.00 -2.33 0.00 0.00 43.42 39.73 2wm2 n LEU 209 CO 0.13 0.00 0.67 0.74 -1.33 0.00 0.00 177.39 177.60 2wm2 h THR 210 N 3.03 0.37 -3.41 -5.08 2.02 -1.93 -3.35 112.91 104.56 2wm2 h THR 210 Ca -0.48 0.00 -0.71 0.00 0.77 0.00 0.00 66.41 65.99 2wm2 h THR 210 Cb 1.25 0.37 -0.32 0.00 -1.74 0.00 0.00 68.15 67.70 2wm2 h THR 210 CO 0.70 0.00 -0.49 -0.54 0.37 0.00 0.00 175.52 175.56 2wm2 s LYS 211 N -6.04 2.19 0.61 6.66 -0.14 -1.26 -5.10 119.74 116.66 2wm2 s LYS 211 Ca -0.15 -1.80 -0.16 0.00 -1.36 0.00 0.00 55.97 52.50 2wm2 s LYS 211 Cb 0.09 -3.72 -0.02 0.00 -1.68 0.00 0.00 37.83 32.50 2wm2 s LYS 211 CO 0.66 -1.12 1.09 0.95 -0.76 0.00 0.00 175.35 176.16 2wm2 s THR 212 N 1.23 3.44 0.11 2.17 -4.23 -1.26 -4.91 115.64 112.20 2wm2 s THR 212 Ca 0.07 0.71 -0.26 0.00 -1.18 0.00 0.00 61.69 61.04 2wm2 s THR 212 Cb -0.24 -3.24 0.07 0.00 1.34 0.00 0.00 72.50 70.44 2wm2 s THR 212 CO -0.03 -0.37 0.90 0.00 -0.54 0.00 0.00 174.62 174.58 2wm2 s ARG 213 N -3.94 1.12 -0.18 3.99 1.70 -1.26 -5.09 118.95 115.29 2wm2 s ARG 213 Ca 0.67 -0.56 -0.36 0.00 -0.47 0.00 0.00 55.73 55.01 2wm2 s ARG 213 Cb -0.19 0.42 -0.12 0.00 -0.57 0.00 0.00 34.95 34.49 2wm2 s ARG 213 CO 0.37 -0.51 1.91 -2.30 -1.08 0.00 0.00 175.30 173.69 2wm2 n PRO 214 N -0.40 1.75 -4.70 3.89 -0.02 -1.26 -4.78 135.00 129.48 2wm2 n PRO 214 Ca -0.07 0.62 -0.23 0.00 -2.02 0.00 0.00 63.50 61.80 2wm2 n PRO 214 Cb 0.61 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 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 4.59 1.19 -0.03 4.25 1.01 -0.80 -2.22 121.20 129.18 2wm2 s ILE 215 Ca 0.97 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 61.05 2wm2 s ILE 215 Cb -0.80 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 2wm2 s ILE 215 CO 0.54 0.34 -0.23 -0.60 0.00 0.00 0.00 174.94 175.00 2wm2 s ARG 216 N -0.31 2.02 -0.39 2.79 3.52 -0.86 -1.70 118.95 124.02 2wm2 s ARG 216 Ca 0.05 -0.81 -0.10 0.00 -0.13 0.00 0.00 55.73 54.73 2wm2 s ARG 216 Cb -0.06 -1.86 0.05 0.00 -1.56 0.00 0.00 34.95 31.52 2wm2 s ARG 216 CO -0.00 0.43 0.22 -1.58 -0.81 0.00 0.00 175.30 173.56 2wm2 s HIS 217 N -0.37 3.28 -0.22 5.12 5.65 0.21 -1.55 115.29 127.41 2wm2 s HIS 217 Ca 0.04 -1.23 -0.08 0.00 0.25 0.00 0.00 55.06 54.04 2wm2 s HIS 217 Cb -0.10 -2.65 -0.04 0.00 -1.18 0.00 0.00 32.58 28.61 2wm2 s HIS 217 CO 0.01 -0.74 0.08 0.96 -0.65 0.00 0.00 174.74 174.40 2wm2 s ILE 218 N 1.49 4.66 0.10 0.89 -4.36 -0.69 -1.51 121.20 121.78 2wm2 s ILE 218 Ca 0.02 -0.06 -0.10 0.00 -0.26 0.00 0.00 60.65 60.25 2wm2 s ILE 218 Cb -0.21 -3.15 0.00 0.00 1.25 0.00 0.00 42.46 40.36 2wm2 s ILE 218 CO 0.04 0.38 0.23 0.72 0.24 0.00 0.00 174.94 176.56 2wm2 s PHE 219 N 1.05 0.13 -0.05 1.37 -0.71 -0.71 -0.92 117.98 118.14 2wm2 s PHE 219 Ca 0.05 -0.54 0.04 0.00 -1.04 0.00 0.00 56.93 55.44 2wm2 s PHE 219 Cb -0.14 -0.01 -0.06 0.00 -1.21 0.00 0.00 43.02 41.60 2wm2 s PHE 219 CO 0.03 -0.59 0.11 0.43 -1.34 0.00 0.00 175.22 173.86 2wm2 n SER 220 N -0.10 3.07 -3.80 1.98 7.64 -1.26 -0.78 113.62 120.36 2wm2 n SER 220 Ca -0.14 -0.15 -0.09 0.00 1.01 0.00 0.00 58.87 59.49 2wm2 n SER 220 Cb 0.63 1.14 -0.06 0.00 -1.01 0.00 0.00 64.21 64.91 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 -2.06 1.04 0.57 1.43 -2.07 -1.26 -4.43 119.66 112.88 2wm2 s GLN 221 Ca -0.01 -0.93 -0.19 0.00 -1.82 0.00 0.00 55.36 52.41 2wm2 s GLN 221 Cb 0.03 0.41 -0.06 0.00 -1.09 0.00 0.00 33.01 32.30 2wm2 s GLN 221 CO 0.17 -0.38 1.00 -2.30 -1.32 0.00 0.00 175.29 172.46 2wm2 n PRO 222 N -0.17 1.02 -0.03 9.60 -0.02 -1.26 -4.77 135.00 139.37 2wm2 n PRO 222 Ca -0.13 0.39 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 2wm2 n PRO 222 Cb 0.63 -2.18 0.43 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.51 0.07 -2.77 3.45 -2.24 -1.26 -4.84 114.28 105.19 2wm2 n THR 223 Ca 0.13 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 2wm2 n THR 223 Cb 0.46 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.93 4.12 0.48 -0.78 8.01 -1.26 -4.97 118.70 122.38 2wm2 s GLU 224 Ca 0.36 1.00 0.16 0.00 0.01 0.00 0.00 54.97 56.50 2wm2 s GLU 224 Cb 0.20 -2.21 1.16 0.00 -4.31 0.00 0.00 34.13 28.97 2wm2 s GLU 224 CO 0.31 -0.06 2.06 -1.35 0.01 0.00 0.00 175.26 176.23 2wm2 h PRO 225 N 1.71 0.20 -0.46 0.39 0.11 -2.01 -2.78 132.00 129.16 2wm2 h PRO 225 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2wm2 h PRO 225 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2wm2 h PRO 225 CO 0.62 0.13 0.20 0.93 -0.21 0.00 0.00 178.00 179.67 2wm2 h GLU 226 N 0.20 0.64 0.15 1.05 3.07 -1.98 -2.64 114.58 115.07 2wm2 h GLU 226 Ca 0.15 -0.08 -0.29 0.00 -0.50 0.00 0.00 59.36 58.64 2wm2 h GLU 226 Cb 0.36 -0.12 0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2wm2 h GLU 226 CO -0.03 0.52 -1.27 -0.92 -1.40 0.00 0.00 179.01 175.91 2wm2 h TYR 227 N 0.64 0.79 -0.81 4.33 3.20 -1.84 -2.99 116.97 120.28 2wm2 h TYR 227 Ca 0.16 -0.53 0.05 0.00 3.14 0.00 0.00 58.73 61.55 2wm2 h TYR 227 Cb 0.10 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 2wm2 h TYR 227 CO 0.01 1.39 0.53 1.49 -1.64 0.00 0.00 178.16 179.94 2wm2 h GLU 228 N 0.17 0.91 -0.32 1.82 4.81 -1.51 -2.92 114.58 117.54 2wm2 h GLU 228 Ca -0.18 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2wm2 h GLU 228 Cb 1.96 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 31.12 2wm2 h GLU 228 CO 0.23 0.60 0.14 -0.22 -0.73 0.00 0.00 179.01 179.03 2wm2 h LYS 229 N 0.94 0.46 -0.73 1.92 3.64 -1.33 0.26 116.57 121.73 2wm2 h LYS 229 Ca 0.34 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2wm2 h LYS 229 Cb 0.15 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 2wm2 h LYS 229 CO -0.11 0.44 0.46 -0.84 -2.27 0.00 0.00 179.45 177.13 2wm2 h ILE 230 N 0.37 1.20 -0.19 2.00 3.07 -1.48 0.34 117.51 122.82 2wm2 h ILE 230 Ca 0.11 -0.40 -0.01 0.00 1.55 0.00 0.00 64.86 66.11 2wm2 h ILE 230 Cb 0.14 0.15 -0.01 0.00 -0.27 0.00 0.00 36.82 36.83 2wm2 h ILE 230 CO -0.01 0.20 0.07 0.78 -1.05 0.00 0.00 178.15 178.14 2wm2 h ASN 231 N 1.00 0.26 0.35 2.16 2.35 -1.20 -0.32 115.58 120.18 2wm2 h ASN 231 Ca 0.26 -0.17 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 2wm2 h ASN 231 Cb -0.07 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2wm2 h ASN 231 CO -0.05 0.36 -0.59 0.77 -1.65 0.00 0.00 177.43 176.27 2wm2 h SER 232 N 0.15 0.27 -0.44 5.81 4.64 -0.12 -1.24 113.55 122.61 2wm2 h SER 232 Ca 0.06 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 2wm2 h SER 232 Cb 0.18 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2wm2 h SER 232 CO -0.00 0.79 -0.10 0.44 -0.87 0.00 0.00 176.83 177.09 2wm2 h ASP 233 N 0.18 0.84 -0.64 4.97 3.32 -0.23 0.13 116.42 124.99 2wm2 h ASP 233 Ca -0.00 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 2wm2 h ASP 233 Cb 1.08 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 2wm2 h ASP 233 CO 0.09 1.01 0.22 0.15 -1.72 0.00 0.00 179.24 178.99 2wm2 h PHE 234 N 0.67 1.04 -0.32 4.55 3.04 -1.03 -2.38 116.94 122.51 2wm2 h PHE 234 Ca 0.11 -0.09 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2wm2 h PHE 234 Cb 0.63 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 2wm2 h PHE 234 CO 0.05 0.83 0.09 0.00 -2.02 0.00 0.00 178.31 177.25 2wm2 h ALA 235 N 1.25 0.42 -0.29 2.41 0.00 -0.91 -1.00 119.26 121.14 2wm2 h ALA 235 Ca 0.22 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2wm2 h ALA 235 Cb 0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2wm2 h ALA 235 CO -0.01 0.08 -0.16 0.93 0.00 0.00 0.00 179.25 180.09 2wm2 h GLU 236 N 0.36 -0.12 -0.04 0.00 5.08 -0.61 -2.96 114.58 116.30 2wm2 h GLU 236 Ca 0.10 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 2wm2 h GLU 236 Cb 0.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2wm2 h GLU 236 CO -0.00 -0.08 -0.51 0.37 -1.00 0.00 0.00 179.01 177.79 2wm2 h GLN 237 N -0.12 0.11 -4.84 2.33 4.15 -1.27 -3.42 115.11 112.05 2wm2 h GLN 237 Ca 0.15 -0.06 -0.66 0.00 0.77 0.00 0.00 58.65 58.85 2wm2 h GLN 237 Cb 0.36 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 27.68 2wm2 h GLN 237 CO -0.37 0.59 -0.80 -1.01 -1.93 0.00 0.00 178.83 175.31 2wm2 s HIS 238 N -3.91 3.16 0.34 3.99 3.76 -0.39 -5.01 115.29 117.22 2wm2 s HIS 238 Ca -0.03 -2.23 0.09 0.00 -0.15 0.00 0.00 55.06 52.74 2wm2 s HIS 238 Cb 0.13 -1.90 0.84 0.00 1.11 0.00 0.00 32.58 32.76 2wm2 s HIS 238 CO 0.76 -0.87 1.80 -1.35 -0.85 0.00 0.00 174.74 174.24 2wm2 h PRO 239 N 7.80 0.65 0.00 8.40 0.11 -1.82 -2.14 132.00 144.99 2wm2 h PRO 239 Ca -0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2wm2 h PRO 239 Cb 1.05 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2wm2 h PRO 239 CO 0.47 0.43 0.00 0.11 -0.21 0.00 0.00 178.00 178.80 2wm2 h TRP 240 N 0.67 0.00 -3.29 0.65 5.08 -1.90 -3.45 115.95 113.71 2wm2 h TRP 240 Ca 0.55 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.95 2wm2 h TRP 240 Cb 0.98 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.08 2wm2 h TRP 240 CO -0.00 0.00 -0.06 0.12 -1.28 0.00 0.00 178.44 177.22 2wm2 s PHE 241 N -3.39 3.63 0.24 0.12 5.36 -0.81 -1.91 117.98 121.22 2wm2 s PHE 241 Ca 0.05 1.09 0.01 0.00 -0.96 0.00 0.00 56.93 57.12 2wm2 s PHE 241 Cb 0.07 -2.58 -0.04 0.00 -0.34 0.00 0.00 43.02 40.14 2wm2 s PHE 241 CO 0.59 0.31 0.13 -1.54 -1.46 0.00 0.00 175.22 173.25 2wm2 s SER 242 N 0.03 0.76 0.12 6.13 1.04 -0.69 -4.69 113.70 116.41 2wm2 s SER 242 Ca 0.29 -1.42 -0.15 0.00 0.48 0.00 0.00 55.95 55.16 2wm2 s SER 242 Cb -0.17 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.28 2wm2 s SER 242 CO 0.15 -0.81 0.37 -0.72 0.98 0.00 0.00 173.24 173.21 2wm2 s TYR 243 N -3.92 -0.12 -0.04 5.02 1.13 -1.26 -0.62 117.35 117.54 2wm2 s TYR 243 Ca 0.38 -0.22 -0.01 0.00 -1.41 0.00 0.00 57.07 55.81 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 0.14 -0.69 0.06 0.00 -2.51 0.00 0.00 175.55 172.55 2wm2 s ALA 244 N -3.82 0.10 -0.30 9.51 0.00 -0.57 -4.91 121.76 121.76 2wm2 s ALA 244 Ca 0.04 0.31 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 2wm2 s ALA 244 Cb 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.70 2wm2 s ALA 244 CO -0.11 -0.30 0.93 0.21 0.00 0.00 0.00 175.76 176.50 2wm2 s LYS 245 N 1.60 4.03 0.00 0.00 2.20 -1.26 -1.74 119.74 124.58 2wm2 s LYS 245 Ca -0.03 0.87 0.24 0.00 -0.36 0.00 0.00 55.97 56.69 2wm2 s LYS 245 Cb -0.12 -3.72 0.25 0.00 -1.51 0.00 0.00 37.83 32.72 2wm2 s LYS 245 CO -0.03 -0.77 1.23 1.28 -0.36 0.00 0.00 175.35 176.70 2wm2 n LEU 246 N 6.50 0.91 -1.45 5.43 4.77 0.04 -4.97 117.00 128.23 2wm2 n LEU 246 Ca 0.08 -0.29 -0.19 0.00 -0.03 0.00 0.00 56.01 55.59 2wm2 n LEU 246 Cb 0.47 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 2wm2 n LEU 246 CO 0.54 0.20 -0.18 0.61 -1.33 0.00 0.00 177.39 177.24 2wm2 n GLY 247 N 1.47 1.78 3.85 -0.72 0.00 -1.26 -4.97 105.19 105.34 2wm2 n GLY 247 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.67 1.65 0.12 -0.02 0.00 -1.26 -4.99 107.32 100.15 2wm2 s GLY 248 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 44.72 44.43 2wm2 s GLY 248 CO 0.00 0.19 1.55 -0.56 0.00 0.00 0.00 173.10 174.28 2wm2 h PRO 249 N -0.66 0.74 -5.24 2.90 0.13 -1.91 -3.46 132.00 124.49 2wm2 h PRO 249 Ca -0.45 -0.26 -0.67 0.00 -0.87 0.00 0.00 66.00 63.75 2wm2 h PRO 249 Cb 1.23 -0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 2wm2 h PRO 249 CO 0.61 0.85 -0.48 0.95 -0.23 0.00 0.00 178.00 179.69 2wm2 s THR 250 N -4.88 1.14 -1.50 1.56 -4.23 -1.26 -4.71 115.64 101.76 2wm2 s THR 250 Ca -0.13 -1.94 0.09 0.00 -1.18 0.00 0.00 61.69 58.53 2wm2 s THR 250 Cb 0.10 -2.09 0.17 0.00 1.34 0.00 0.00 72.50 72.03 2wm2 s THR 250 CO 0.81 0.00 1.16 1.57 -0.54 0.00 0.00 174.62 177.61 2wm2 n HIS 251 N -1.34 0.00 -3.60 3.99 -0.00 -0.34 -4.31 115.22 109.62 2wm2 n HIS 251 Ca -0.18 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.26 2wm2 n HIS 251 Cb 0.67 -0.25 -0.10 0.00 -0.00 0.00 0.00 29.99 30.31 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 -1.25 3.35 0.25 1.57 3.01 -1.26 -4.85 117.46 118.27 2wm2 n PHE 252 Ca 0.05 -4.19 0.11 0.00 1.01 0.00 0.00 57.45 54.43 2wm2 n PHE 252 Cb 0.07 -0.57 0.73 0.00 -0.01 0.00 0.00 39.48 39.70 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 4.66 0.00 -0.34 -1.08 0.13 -1.94 -0.98 132.00 132.45 2wm2 h PRO 253 Ca 0.18 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.41 2wm2 h PRO 253 Cb 0.70 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2wm2 h PRO 253 CO 0.78 0.00 0.25 0.00 -0.23 0.00 0.00 178.00 178.80 2wm2 h ALA 254 N 1.97 2.30 0.00 -0.56 0.00 -1.88 -2.42 119.26 118.66 2wm2 h ALA 254 Ca 0.02 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 2wm2 h ALA 254 Cb 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2wm2 h ALA 254 CO -0.00 -0.43 -1.35 -0.89 0.00 0.00 0.00 179.25 176.59 2wm2 n ILE 255 N -4.39 1.50 0.59 0.00 5.41 -0.42 -3.74 119.36 118.30 2wm2 n ILE 255 Ca 0.05 -0.03 0.11 0.00 1.00 0.00 0.00 62.75 63.89 2wm2 n ILE 255 Cb 0.43 -2.14 0.02 0.00 -0.71 0.00 0.00 39.64 37.24 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 -4.44 0.62 -3.10 4.38 5.68 -0.88 -4.19 116.55 114.62 2wm2 n ASP 256 Ca -0.29 -0.24 -0.18 0.00 -0.50 0.00 0.00 54.79 53.58 2wm2 n ASP 256 Cb 0.60 0.81 -0.02 0.00 -1.14 0.00 0.00 41.12 41.37 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 -1.94 0.27 -0.22 2.12 0.24 -0.92 -4.93 118.33 112.96 2wm2 n VAL 257 Ca 0.02 -4.49 -0.08 0.00 -2.04 0.00 0.00 64.34 57.75 2wm2 n VAL 257 Cb 0.43 -0.25 0.03 0.00 -1.47 0.00 0.00 33.84 32.58 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 2.99 1.04 -0.99 7.34 0.13 -1.70 -2.30 132.00 138.51 2wm2 h PRO 258 Ca 0.08 -0.29 0.15 0.00 -0.87 0.00 0.00 66.00 65.07 2wm2 h PRO 258 Cb 0.96 -0.12 -0.09 0.00 0.13 0.00 0.00 31.00 31.88 2wm2 h PRO 258 CO 0.53 0.97 0.62 0.38 -0.23 0.00 0.00 178.00 180.27 2wm2 h ASP 259 N 0.95 0.83 -0.20 1.44 2.03 -1.91 -0.62 116.42 118.93 2wm2 h ASP 259 Ca 0.19 0.06 -0.20 0.00 -0.73 0.00 0.00 57.03 56.35 2wm2 h ASP 259 Cb 0.45 -0.10 0.01 0.00 -0.83 0.00 0.00 39.33 38.86 2wm2 h ASP 259 CO 0.01 0.39 -0.65 0.03 -1.03 0.00 0.00 179.24 177.99 2wm2 h ARG 260 N 0.86 0.80 -0.79 4.15 2.47 -1.83 -2.59 114.38 117.46 2wm2 h ARG 260 Ca 0.52 -0.59 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2wm2 h ARG 260 Cb 0.68 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 2wm2 h ARG 260 CO -0.29 1.21 0.48 0.00 0.56 0.00 0.00 179.97 181.92 2wm2 h ALA 261 N 0.59 1.00 -0.51 0.04 0.00 -0.88 -2.63 119.26 116.88 2wm2 h ALA 261 Ca -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2wm2 h ALA 261 Cb 1.28 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2wm2 h ALA 261 CO 0.14 0.47 0.29 0.00 0.00 0.00 0.00 179.25 180.14 2wm2 h ALA 262 N 1.26 0.65 -0.94 0.00 0.00 -1.12 -2.36 119.26 116.74 2wm2 h ALA 262 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.30 2wm2 h ALA 262 Cb -0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 2wm2 h ALA 262 CO -0.05 -0.03 0.60 0.28 0.00 0.00 0.00 179.25 180.05 2wm2 h VAL 263 N 0.57 0.96 0.00 0.00 2.07 -1.08 0.34 116.25 119.11 2wm2 h VAL 263 Ca 0.21 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 2wm2 h VAL 263 Cb 0.06 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 2wm2 h VAL 263 CO -0.11 0.17 -0.71 0.45 0.02 0.00 0.00 177.57 177.39 2wm2 h HIS 264 N 0.94 0.00 0.02 1.57 3.86 -1.43 -2.64 115.15 117.48 2wm2 h HIS 264 Ca 0.45 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.65 2wm2 h HIS 264 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 2wm2 h HIS 264 CO -0.00 0.66 -0.01 0.82 0.86 0.00 0.00 177.93 180.26 2wm2 h ILE 265 N 0.00 1.39 -0.91 2.45 2.04 -0.62 -2.95 117.51 118.91 2wm2 h ILE 265 Ca -0.02 -1.27 0.14 0.00 1.00 0.00 0.00 64.86 64.71 2wm2 h ILE 265 Cb 1.52 2.24 -0.09 0.00 -0.74 0.00 0.00 36.82 39.74 2wm2 h ILE 265 CO 0.08 0.32 0.52 0.03 0.00 0.00 0.00 178.15 179.11 2wm2 h ARG 266 N -0.57 0.75 -0.16 2.37 3.08 -0.46 0.21 114.38 119.59 2wm2 h ARG 266 Ca -0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2wm2 h ARG 266 Cb 0.55 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2wm2 h ARG 266 CO 0.00 0.50 0.03 1.49 -1.07 0.00 0.00 179.97 180.92 2wm2 h GLU 267 N 0.77 0.09 -0.44 0.04 4.81 -1.49 0.49 114.58 118.86 2wm2 h GLU 267 Ca 0.48 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.61 2wm2 h GLU 267 Cb 0.59 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2wm2 h GLU 267 CO -0.32 0.06 -0.07 0.74 -0.73 0.00 0.00 179.01 178.70 2wm2 h PHE 268 N 0.09 0.91 -0.60 0.92 -1.00 -1.18 -0.53 116.94 115.55 2wm2 h PHE 268 Ca 0.07 -0.18 0.06 0.00 2.81 0.00 0.00 57.97 60.73 2wm2 h PHE 268 Cb 0.07 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.35 2wm2 h PHE 268 CO -0.13 0.91 0.31 0.00 -1.61 0.00 0.00 178.31 177.78 2wm2 h ALA 269 N 0.87 0.79 -0.05 2.45 0.00 -0.39 -1.50 119.26 121.43 2wm2 h ALA 269 Ca 0.11 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2wm2 h ALA 269 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2wm2 h ALA 269 CO 0.04 -0.04 -0.43 1.15 0.00 0.00 0.00 179.25 179.97 2wm2 h THR 270 N 0.57 1.31 -0.48 0.00 2.02 -0.70 -1.51 112.91 114.13 2wm2 h THR 270 Ca 0.27 -1.52 -0.13 0.00 0.77 0.00 0.00 66.41 65.80 2wm2 h THR 270 Cb 0.20 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 2wm2 h THR 270 CO -0.19 0.44 -0.23 0.00 0.37 0.00 0.00 175.52 175.92 2wm2 h ALA 271 N 1.47 0.68 -0.69 6.16 0.00 -0.70 -3.02 119.26 123.17 2wm2 h ALA 271 Ca 0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2wm2 h ALA 271 Cb 0.80 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2wm2 h ALA 271 CO 0.06 0.68 0.16 0.82 0.00 0.00 0.00 179.25 180.97 2wm2 h ILE 272 N 0.86 1.26 0.00 0.00 2.04 -1.03 -2.90 117.51 117.74 2wm2 h ILE 272 Ca 0.11 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2wm2 h ILE 272 Cb 0.81 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2wm2 h ILE 272 CO 0.07 0.37 0.00 0.54 0.00 0.00 0.00 178.15 179.13 2wm2 n ARG 273 N -4.25 0.13 -2.12 2.37 1.74 -0.59 -2.27 116.66 111.68 2wm2 n ARG 273 Ca 0.05 0.20 -0.24 0.00 -0.77 0.00 0.00 57.85 57.09 2wm2 n ARG 273 Cb 0.26 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.22 2wm2 n ARG 273 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wm2 n GLN 274 N -1.29 3.54 -0.74 5.56 6.02 -1.09 -5.08 117.38 124.30 2wm2 n GLN 274 Ca 0.04 -4.21 0.00 0.00 -0.01 0.00 0.00 57.00 52.82 2wm2 n GLN 274 Cb 0.07 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.08 2wm2 n GLN 274 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46