#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnl n ASP -2 N 0.00 0.23 0.12 -2.24 9.92 -1.26 -2.28 116.55 121.04 2wnl n ASP -2 Ca 0.00 0.53 -0.20 0.00 -0.53 0.00 0.00 54.79 54.59 2wnl n ASP -2 Cb 0.00 -0.59 -0.15 0.00 -0.64 0.00 0.00 41.12 39.75 2wnl n ASP -2 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2wnl h LYS -1 N 0.00 0.42 -0.34 -1.24 1.57 -2.04 -3.15 116.57 111.78 2wnl h LYS -1 Ca 0.00 -0.69 0.10 0.00 -1.87 0.00 0.00 60.65 58.19 2wnl h LYS -1 Cb 0.50 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2wnl h LYS -1 CO 0.00 1.33 0.49 1.25 -0.57 0.00 0.00 179.45 181.94 2wnl h LEU 0 N 0.12 0.00 0.34 2.94 6.46 -1.88 0.90 115.31 124.19 2wnl h LEU 0 Ca -0.19 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 2wnl h LEU 0 Cb 2.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.99 2wnl h LEU 0 CO 0.24 0.00 -0.16 0.45 -0.62 0.00 0.00 178.44 178.35 2wnl h HIS 1 N 0.00 -0.42 -0.91 1.25 3.86 -1.52 -0.96 115.15 116.46 2wnl h HIS 1 Ca 0.16 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.62 2wnl h HIS 1 Cb 1.13 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.70 2wnl h HIS 1 CO 0.00 -0.26 0.64 0.66 0.86 0.00 0.00 177.93 179.83 2wnl h SER 2 N -0.72 0.07 0.11 2.45 4.64 -1.05 0.60 113.55 119.65 2wnl h SER 2 Ca -0.05 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2wnl h SER 2 Cb 0.35 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2wnl h SER 2 CO 0.08 0.02 -0.05 -0.61 -0.87 0.00 0.00 176.83 175.40 2wnl h GLN 3 N 0.07 -0.14 0.00 4.77 4.15 0.66 -2.83 115.11 121.79 2wnl h GLN 3 Ca 0.44 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.77 2wnl h GLN 3 Cb 1.64 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.35 2wnl h GLN 3 CO -0.04 0.24 -0.48 0.00 -1.93 0.00 0.00 178.83 176.62 2wnl h ALA 4 N 0.27 1.07 0.31 3.38 0.00 0.74 -2.86 119.26 122.18 2wnl h ALA 4 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2wnl h ALA 4 Cb 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wnl h ALA 4 CO 0.02 0.61 -0.18 -0.91 0.00 0.00 0.00 179.25 178.79 2wnl h ASN 5 N 0.00 -0.44 -0.71 0.00 2.35 -0.04 -2.03 115.58 114.71 2wnl h ASN 5 Ca -0.00 0.02 0.10 0.00 -0.55 0.00 0.00 56.30 55.87 2wnl h ASN 5 Cb 0.93 0.13 -0.07 0.00 0.05 0.00 0.00 38.32 39.35 2wnl h ASN 5 CO 0.06 -0.29 0.34 0.25 -1.65 0.00 0.00 177.43 176.14 2wnl h LEU 6 N -0.47 0.42 -0.72 1.61 5.85 -1.31 -0.63 115.31 120.06 2wnl h LEU 6 Ca -0.04 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 2wnl h LEU 6 Cb 0.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2wnl h LEU 6 CO 0.05 0.23 -0.57 0.24 -0.34 0.00 0.00 178.44 178.05 2wnl h MET 7 N 0.57 0.22 -0.26 1.25 0.00 -1.50 -1.12 114.93 114.09 2wnl h MET 7 Ca 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 59.70 59.91 2wnl h MET 7 Cb 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 31.60 32.02 2wnl h MET 7 CO -0.29 0.73 0.14 -0.09 0.00 0.00 0.00 176.91 177.39 2wnl h ARG 8 N 0.17 0.36 -0.25 1.72 2.43 -0.57 -0.66 114.38 117.59 2wnl h ARG 8 Ca -0.00 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2wnl h ARG 8 Cb 1.05 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 2wnl h ARG 8 CO 0.09 0.33 0.14 1.25 -1.51 0.00 0.00 179.97 180.27 2wnl h LEU 9 N 0.30 0.22 -0.72 3.80 5.85 -0.86 0.85 115.31 124.75 2wnl h LEU 9 Ca 0.09 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2wnl h LEU 9 Cb 0.08 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2wnl h LEU 9 CO -0.01 0.17 0.30 0.11 -0.34 0.00 0.00 178.44 178.66 2wnl h LYS 10 N 0.29 1.08 -0.01 1.25 1.57 -1.15 -1.03 116.57 118.57 2wnl h LYS 10 Ca 0.10 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2wnl h LYS 10 Cb 0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2wnl h LYS 10 CO -0.05 0.88 -0.02 1.03 -0.57 0.00 0.00 179.45 180.71 2wnl h SER 11 N 1.03 -0.06 -0.65 0.86 0.87 -0.84 -1.45 113.55 113.32 2wnl h SER 11 Ca 0.24 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2wnl h SER 11 Cb 0.19 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2wnl h SER 11 CO -0.02 -0.03 0.43 0.44 -0.53 0.00 0.00 176.83 177.12 2wnl h ASP 12 N -0.03 0.70 0.00 6.23 3.45 -0.51 -0.02 116.42 126.23 2wnl h ASP 12 Ca 0.01 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2wnl h ASP 12 Cb 0.05 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.65 2wnl h ASP 12 CO -0.03 0.49 -0.10 -0.07 -1.57 0.00 0.00 179.24 177.97 2wnl h LEU 13 N 0.81 0.00 0.00 1.55 3.38 -1.07 -3.15 115.31 116.83 2wnl h LEU 13 Ca 0.25 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2wnl h LEU 13 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2wnl h LEU 13 CO -0.06 0.91 0.00 0.49 0.09 0.00 0.00 178.44 179.87 2wnl n PHE 14 N -4.64 0.00 -0.34 1.13 3.72 -0.56 -3.50 117.46 113.27 2wnl n PHE 14 Ca -0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.37 2wnl n PHE 14 Cb 0.38 -0.19 0.22 0.00 -0.94 0.00 0.00 39.48 38.95 2wnl n PHE 14 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2wnl h ASN 15 N 0.00 0.85 0.08 4.37 -0.26 -1.62 -3.22 115.58 115.79 2wnl h ASN 15 Ca 0.00 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2wnl h ASN 15 Cb 0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.14 2wnl h ASN 15 CO 0.00 0.46 -0.04 -0.09 -1.06 0.00 0.00 177.43 176.70 2wnl h ARG 16 N 0.94 -0.10 0.00 0.81 2.43 -1.19 -3.50 114.38 113.76 2wnl h ARG 16 Ca 0.47 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 2wnl h ARG 16 Cb 0.45 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2wnl h ARG 16 CO -0.26 -0.07 0.00 0.43 -1.51 0.00 0.00 179.97 178.56 2wnl n SER 17 N -3.48 0.00 -3.60 -3.80 7.64 -1.19 -5.06 113.62 104.13 2wnl n SER 17 Ca -0.01 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.73 2wnl n SER 17 Cb 0.04 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.12 2wnl n SER 17 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wnl s TYR 20 N 2.71 -0.43 -2.39 1.43 5.04 -1.26 -4.97 117.35 117.47 2wnl s TYR 20 Ca 0.00 0.80 0.26 0.00 -2.44 0.00 0.00 57.07 55.69 2wnl s TYR 20 Cb 0.00 -0.10 1.03 0.00 0.35 0.00 0.00 41.96 43.24 2wnl s TYR 20 CO 0.00 -0.44 1.72 -0.35 -1.34 0.00 0.00 175.55 175.15 2wnl n PRO 21 N 5.35 1.62 0.00 4.97 -0.05 -1.26 -4.87 135.00 140.76 2wnl n PRO 21 Ca -0.06 -0.91 0.00 0.00 -0.05 0.00 0.00 63.50 62.48 2wnl n PRO 21 Cb 0.50 -1.45 0.00 0.00 -0.05 0.00 0.00 33.50 32.49 2wnl n PRO 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2wnl n GLY 22 N 1.14 2.28 3.78 0.55 0.00 -1.26 -5.06 105.19 106.62 2wnl n GLY 22 Ca 0.18 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 2wnl n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wnl s PRO 23 N -2.10 3.39 0.51 1.61 0.04 -1.26 -5.07 135.00 132.12 2wnl s PRO 23 Ca 0.00 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.65 2wnl s PRO 23 Cb 0.00 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2wnl s PRO 23 CO 0.00 -0.82 0.01 0.95 0.04 0.00 0.00 177.00 177.18 2wnl s THR 24 N -1.79 1.21 0.21 1.26 -4.23 -0.96 -4.98 115.64 106.36 2wnl s THR 24 Ca 0.72 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 2wnl s THR 24 Cb -0.23 -2.20 -0.05 0.00 1.34 0.00 0.00 72.50 71.36 2wnl s THR 24 CO 0.26 0.00 1.53 0.50 -0.54 0.00 0.00 174.62 176.37 2wnl h LYS 25 N 1.36 0.46 -0.00 3.99 3.64 -1.95 -2.32 116.57 121.76 2wnl h LYS 25 Ca -0.44 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 2wnl h LYS 25 Cb 1.31 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2wnl h LYS 25 CO 0.74 0.89 -0.03 -0.25 -2.27 0.00 0.00 179.45 178.53 2wnl n ASP 26 N -3.94 0.32 -3.04 4.20 8.00 -1.26 -4.20 116.55 116.63 2wnl n ASP 26 Ca -0.03 -0.78 -0.17 0.00 0.71 0.00 0.00 54.79 54.53 2wnl n ASP 26 Cb 0.60 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 2wnl n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2wnl n ASP 27 N -0.89 -0.58 -4.76 -2.24 2.03 -0.98 -5.14 116.55 103.99 2wnl n ASP 27 Ca 0.19 -3.07 -0.30 0.00 0.52 0.00 0.00 54.79 52.13 2wnl n ASP 27 Cb 0.21 0.23 0.12 0.00 -0.72 0.00 0.00 41.12 40.96 2wnl n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2wnl s PRO 28 N -1.00 1.58 -0.02 -0.67 0.04 -0.91 -2.27 135.00 131.75 2wnl s PRO 28 Ca 0.34 0.69 0.02 0.00 0.04 0.00 0.00 61.00 62.09 2wnl s PRO 28 Cb 0.26 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2wnl s PRO 28 CO -0.12 -1.99 -0.07 -1.17 0.04 0.00 0.00 177.00 173.69 2wnl s LEU 29 N -6.02 1.78 -0.26 -3.56 2.96 0.03 -4.93 118.68 108.67 2wnl s LEU 29 Ca 0.62 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 54.33 2wnl s LEU 29 Cb -0.16 -0.47 0.00 0.00 0.50 0.00 0.00 46.19 46.07 2wnl s LEU 29 CO 0.55 0.05 0.03 -0.89 -1.32 0.00 0.00 176.35 174.77 2wnl s THR 30 N 0.20 3.68 -0.16 3.68 2.01 -1.26 -0.98 115.64 122.81 2wnl s THR 30 Ca -0.03 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 2wnl s THR 30 Cb -0.08 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2wnl s THR 30 CO 0.00 0.21 0.11 -0.69 -0.69 0.00 0.00 174.62 173.56 2wnl s VAL 31 N 1.48 5.26 -0.25 3.82 1.01 -0.23 -4.58 120.40 126.91 2wnl s VAL 31 Ca 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 2wnl s VAL 31 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2wnl s VAL 31 CO 0.00 0.53 0.11 -0.89 0.00 0.00 0.00 175.10 174.85 2wnl s THR 32 N -0.28 4.68 0.08 3.92 2.01 -0.44 -1.67 115.64 123.95 2wnl s THR 32 Ca 0.10 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.10 2wnl s THR 32 Cb -0.12 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2wnl s THR 32 CO 0.01 0.32 0.02 -0.76 -0.69 0.00 0.00 174.62 173.53 2wnl s LEU 33 N 1.54 3.57 -0.16 4.42 1.43 -0.48 -2.14 118.68 126.87 2wnl s LEU 33 Ca 0.06 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 52.84 2wnl s LEU 33 Cb -0.15 -2.28 0.05 0.00 0.03 0.00 0.00 46.19 43.84 2wnl s LEU 33 CO 0.06 0.18 0.54 -0.83 0.23 0.00 0.00 176.35 176.52 2wnl s GLY 34 N -2.31 -0.41 0.04 -3.19 0.00 -0.96 -4.31 107.32 96.17 2wnl s GLY 34 Ca 0.27 1.38 0.03 0.00 0.00 0.00 0.00 44.72 46.40 2wnl s GLY 34 CO 0.19 1.14 -0.02 -1.36 0.00 0.00 0.00 173.10 173.05 2wnl s PHE 35 N -0.11 2.98 -0.26 1.90 0.08 -1.26 -0.34 117.98 120.97 2wnl s PHE 35 Ca -0.03 -0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.04 2wnl s PHE 35 Cb -0.03 -1.59 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 2wnl s PHE 35 CO 0.02 0.45 -0.06 0.99 -0.10 0.00 0.00 175.22 176.52 2wnl s THR 36 N -1.16 1.83 -0.20 0.64 2.01 -0.58 -1.63 115.64 116.55 2wnl s THR 36 Ca 0.21 -1.51 -0.24 0.00 0.31 0.00 0.00 61.69 60.46 2wnl s THR 36 Cb -0.11 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2wnl s THR 36 CO 0.13 -0.15 0.81 -0.22 -0.69 0.00 0.00 174.62 174.50 2wnl s LEU 37 N 1.24 4.13 -0.23 4.42 2.96 -0.73 -0.81 118.68 129.65 2wnl s LEU 37 Ca -0.05 1.07 -0.06 0.00 -0.22 0.00 0.00 54.13 54.88 2wnl s LEU 37 Cb -0.19 -3.17 -0.18 0.00 0.50 0.00 0.00 46.19 43.15 2wnl s LEU 37 CO -0.07 -0.44 -0.10 0.00 -1.32 0.00 0.00 176.35 174.43 2wnl n GLN 38 N 5.55 0.65 -3.62 1.98 6.02 -0.30 -3.61 117.38 124.05 2wnl n GLN 38 Ca 0.04 0.24 -0.15 0.00 -0.01 0.00 0.00 57.00 57.12 2wnl n GLN 38 Cb 0.48 -1.57 -0.07 0.00 1.02 0.00 0.00 30.24 30.10 2wnl n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2wnl s ASP 39 N -6.89 -0.72 -0.41 1.08 2.15 -0.91 -0.34 116.67 110.63 2wnl s ASP 39 Ca -0.33 1.29 -0.17 0.00 0.43 0.00 0.00 52.55 53.78 2wnl s ASP 39 Cb 0.10 1.28 0.02 0.00 -0.30 0.00 0.00 42.92 44.01 2wnl s ASP 39 CO 0.61 -0.31 0.40 -0.63 -0.17 0.00 0.00 175.17 175.07 2wnl s ILE 40 N 0.09 5.13 0.04 4.11 1.01 -1.26 -0.67 121.20 129.64 2wnl s ILE 40 Ca -0.02 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.33 2wnl s ILE 40 Cb -0.04 -3.99 -0.23 0.00 0.01 0.00 0.00 42.46 38.20 2wnl s ILE 40 CO 0.03 -0.37 0.98 0.58 0.00 0.00 0.00 174.94 176.16 2wnl h VAL 41 N 5.69 1.30 -1.99 2.92 2.07 -1.54 -3.41 116.25 121.29 2wnl h VAL 41 Ca -0.27 -3.03 -0.03 0.00 0.82 0.00 0.00 66.70 64.19 2wnl h VAL 41 Cb 1.12 2.69 -0.21 0.00 -1.52 0.00 0.00 31.29 33.36 2wnl h VAL 41 CO 0.77 0.78 0.12 -0.75 0.02 0.00 0.00 177.57 178.51 2wnl s LYS 42 N -2.65 0.82 -0.18 1.57 2.20 -1.24 -4.94 119.74 115.31 2wnl s LYS 42 Ca -0.03 1.02 -0.00 0.00 -0.36 0.00 0.00 55.97 56.59 2wnl s LYS 42 Cb 0.09 0.37 0.04 0.00 -1.51 0.00 0.00 37.83 36.82 2wnl s LYS 42 CO 0.83 -0.11 -0.06 0.00 -0.36 0.00 0.00 175.35 175.66 2wnl s ALA 43 N 0.54 1.62 -0.36 3.13 0.00 -1.26 -1.26 121.76 124.17 2wnl s ALA 43 Ca -0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 2wnl s ALA 43 Cb -0.05 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.93 2wnl s ALA 43 CO -0.02 -0.85 0.14 0.34 0.00 0.00 0.00 175.76 175.37 2wnl s ASP 44 N 1.57 5.39 0.00 0.00 -1.08 0.24 -4.95 116.67 117.84 2wnl s ASP 44 Ca -0.00 -1.23 0.22 0.00 -0.52 0.00 0.00 52.55 51.01 2wnl s ASP 44 Cb -0.16 -1.89 0.76 0.00 -1.46 0.00 0.00 42.92 40.17 2wnl s ASP 44 CO -0.08 -0.37 1.56 -1.54 0.52 0.00 0.00 175.17 175.26 2wnl n SER 45 N 4.83 1.75 0.10 -0.34 3.41 -1.26 -0.60 113.62 121.50 2wnl n SER 45 Ca -0.12 -1.70 0.03 0.00 -0.26 0.00 0.00 58.87 56.82 2wnl n SER 45 Cb 0.44 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 2wnl n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wnl h SER 46 N 2.37 0.00 0.00 4.04 4.64 -1.96 -3.38 113.55 119.25 2wnl h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnl h SER 46 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2wnl h SER 46 CO 0.00 0.47 0.00 0.35 -0.87 0.00 0.00 176.83 176.78 2wnl n THR 47 N -3.04 0.00 -3.76 2.95 -2.24 -1.22 -5.04 114.28 101.94 2wnl n THR 47 Ca -0.03 -0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.17 2wnl n THR 47 Cb 0.75 1.26 0.02 0.00 -2.10 0.00 0.00 70.33 70.27 2wnl n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wnl n ASN 48 N -0.16 -2.66 -4.23 3.42 3.02 0.23 -4.93 115.26 109.95 2wnl n ASN 48 Ca 0.00 -0.95 -0.31 0.00 -0.03 0.00 0.00 54.58 53.29 2wnl n ASN 48 Cb 0.07 -3.53 -0.17 0.00 -0.61 0.00 0.00 39.78 35.54 2wnl n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2wnl s GLU 49 N -6.10 2.59 0.00 3.52 2.02 -0.87 -1.34 118.70 118.53 2wnl s GLU 49 Ca 0.20 -0.85 0.07 0.00 0.02 0.00 0.00 54.97 54.41 2wnl s GLU 49 Cb -0.07 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 2wnl s GLU 49 CO 0.85 0.30 -0.22 0.08 0.02 0.00 0.00 175.26 176.29 2wnl s VAL 50 N 0.03 2.43 -0.18 2.63 1.01 -0.69 -0.59 120.40 125.04 2wnl s VAL 50 Ca -0.09 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 2wnl s VAL 50 Cb -0.15 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2wnl s VAL 50 CO 0.05 0.48 -0.03 -1.81 0.00 0.00 0.00 175.10 173.80 2wnl s ASP 51 N -0.95 4.71 0.13 3.32 1.11 -0.39 -1.31 116.67 123.30 2wnl s ASP 51 Ca 0.12 -0.20 0.09 0.00 0.18 0.00 0.00 52.55 52.74 2wnl s ASP 51 Cb -0.10 -1.79 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 2wnl s ASP 51 CO 0.01 0.11 -0.14 -0.76 1.18 0.00 0.00 175.17 175.57 2wnl s LEU 52 N 0.73 2.83 -0.12 1.23 1.43 0.18 -1.25 118.68 123.70 2wnl s LEU 52 Ca -0.01 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2wnl s LEU 52 Cb -0.14 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 2wnl s LEU 52 CO 0.02 0.16 -0.17 -0.69 0.23 0.00 0.00 176.35 175.90 2wnl s VAL 53 N -1.32 2.65 0.15 -1.59 1.01 0.15 -1.13 120.40 120.31 2wnl s VAL 53 Ca 0.21 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 2wnl s VAL 53 Cb -0.10 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.22 2wnl s VAL 53 CO 0.12 0.53 0.43 -0.72 0.00 0.00 0.00 175.10 175.47 2wnl s TYR 54 N 0.43 -0.12 0.07 5.22 -0.85 -0.74 -1.16 117.35 120.20 2wnl s TYR 54 Ca -0.13 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 2wnl s TYR 54 Cb -0.16 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.41 2wnl s TYR 54 CO 0.06 -0.77 0.23 0.71 -1.52 0.00 0.00 175.55 174.25 2wnl s TYR 55 N -3.84 3.51 -0.25 -3.49 4.12 0.01 -1.04 117.35 116.37 2wnl s TYR 55 Ca 0.06 0.25 0.01 0.00 0.02 0.00 0.00 57.07 57.41 2wnl s TYR 55 Cb 0.01 -1.76 0.07 0.00 -1.52 0.00 0.00 41.96 38.75 2wnl s TYR 55 CO -0.08 0.57 -0.02 -2.00 0.02 0.00 0.00 175.55 174.04 2wnl s GLU 56 N -2.60 1.46 -0.16 -0.62 2.12 -0.62 -1.52 118.70 116.76 2wnl s GLU 56 Ca 0.35 -1.05 -0.25 0.00 0.36 0.00 0.00 54.97 54.39 2wnl s GLU 56 Cb -0.13 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 2wnl s GLU 56 CO 0.28 -0.67 0.82 -1.14 -0.54 0.00 0.00 175.26 174.01 2wnl s GLN 57 N 1.40 4.31 -0.08 4.30 0.74 0.54 -3.44 119.66 127.43 2wnl s GLN 57 Ca -0.02 1.01 0.04 0.00 0.05 0.00 0.00 55.36 56.44 2wnl s GLN 57 Cb -0.19 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.35 2wnl s GLN 57 CO -0.08 -0.29 -0.22 -0.65 -0.55 0.00 0.00 175.29 173.49 2wnl s GLN 58 N 2.03 2.85 -0.02 1.67 -0.21 0.31 -2.27 119.66 124.02 2wnl s GLN 58 Ca 0.38 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.92 2wnl s GLN 58 Cb -0.17 -2.29 0.01 0.00 1.00 0.00 0.00 33.01 31.56 2wnl s GLN 58 CO 0.13 0.30 -0.04 1.03 -2.12 0.00 0.00 175.29 174.59 2wnl s ARG 59 N 0.06 0.45 0.28 2.91 0.52 -0.91 -0.65 118.95 121.61 2wnl s ARG 59 Ca -0.10 -0.11 -0.14 0.00 -0.52 0.00 0.00 55.73 54.87 2wnl s ARG 59 Cb -0.15 -0.48 0.01 0.00 0.52 0.00 0.00 34.95 34.84 2wnl s ARG 59 CO 0.06 0.02 0.57 1.67 0.02 0.00 0.00 175.30 177.64 2wnl s TRP 60 N 0.31 0.29 -0.06 -0.53 -2.14 -1.00 -1.32 118.94 114.48 2wnl s TRP 60 Ca -0.03 -0.70 -0.03 0.00 2.66 0.00 0.00 56.10 58.00 2wnl s TRP 60 Cb -0.07 0.35 0.04 0.00 -3.10 0.00 0.00 33.47 30.70 2wnl s TRP 60 CO -0.00 -1.14 0.13 0.21 -2.66 0.00 0.00 176.95 173.48 2wnl s LYS 61 N -3.67 0.02 -0.14 3.25 2.20 -1.26 -0.28 119.74 119.86 2wnl s LYS 61 Ca 0.20 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 56.26 2wnl s LYS 61 Cb -0.02 -0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.02 2wnl s LYS 61 CO 0.10 -0.25 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.15 2wnl s LEU 62 N 1.81 2.36 0.48 5.43 1.43 0.23 -4.94 118.68 125.49 2wnl s LEU 62 Ca -0.02 -0.50 0.17 0.00 -1.03 0.00 0.00 54.13 52.75 2wnl s LEU 62 Cb -0.12 -1.52 1.16 0.00 0.03 0.00 0.00 46.19 45.74 2wnl s LEU 62 CO -0.05 0.10 2.06 0.78 0.23 0.00 0.00 176.35 179.46 2wnl h ASN 63 N 7.19 0.00 0.17 2.29 2.35 -1.89 -1.18 115.58 124.52 2wnl h ASN 63 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2wnl h ASN 63 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2wnl h ASN 63 CO 0.55 0.12 0.00 -1.54 -1.65 0.00 0.00 177.43 174.91 2wnl n SER 64 N -4.29 0.17 -0.46 5.81 3.41 -1.26 -2.19 113.62 114.81 2wnl n SER 64 Ca -0.03 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.21 2wnl n SER 64 Cb 0.19 -0.59 0.14 0.00 -0.26 0.00 0.00 64.21 63.69 2wnl n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wnl n LEU 65 N -1.71 2.85 -4.84 1.04 4.77 -0.45 -5.02 117.00 113.64 2wnl n LEU 65 Ca 0.01 -2.42 -0.32 0.00 -0.03 0.00 0.00 56.01 53.25 2wnl n LEU 65 Cb 0.06 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 2wnl n LEU 65 CO 0.06 0.66 0.69 -0.04 -1.33 0.00 0.00 177.39 177.43 2wnl s MET 66 N -1.74 3.80 0.01 3.23 -1.94 -0.93 -4.05 119.30 117.68 2wnl s MET 66 Ca 0.24 0.98 -0.27 0.00 -1.71 0.00 0.00 55.69 54.92 2wnl s MET 66 Cb 0.17 -2.11 0.07 0.00 2.01 0.00 0.00 34.83 34.96 2wnl s MET 66 CO 0.08 -0.40 0.63 1.67 -0.01 0.00 0.00 175.02 176.99 2wnl s TRP 67 N -2.64 -0.58 -0.24 -0.03 -2.14 -0.87 -4.96 118.94 107.47 2wnl s TRP 67 Ca 0.59 0.84 -0.21 0.00 2.66 0.00 0.00 56.10 59.98 2wnl s TRP 67 Cb -0.11 0.42 -0.02 0.00 -3.10 0.00 0.00 33.47 30.66 2wnl s TRP 67 CO 0.34 -0.66 0.65 0.34 -2.66 0.00 0.00 176.95 174.97 2wnl s ASP 68 N -1.63 6.63 0.35 -2.66 3.68 -1.26 -4.72 116.67 117.06 2wnl s ASP 68 Ca -0.08 0.78 0.04 0.00 2.13 0.00 0.00 52.55 55.42 2wnl s ASP 68 Cb -0.00 -2.35 0.68 0.00 -1.45 0.00 0.00 42.92 39.79 2wnl s ASP 68 CO 0.03 -0.36 1.97 -0.65 0.13 0.00 0.00 175.17 176.29 2wnl h PRO 69 N 7.75 0.81 -0.32 4.34 0.11 -1.94 -2.73 132.00 140.03 2wnl h PRO 69 Ca -0.28 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.88 2wnl h PRO 69 Cb 1.13 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2wnl h PRO 69 CO 0.78 0.53 0.27 -0.91 -0.21 0.00 0.00 178.00 178.47 2wnl h ASN 70 N 0.83 0.00 0.23 -2.05 -0.26 -1.93 0.33 115.58 112.73 2wnl h ASN 70 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 2wnl h ASN 70 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2wnl h ASN 70 CO -0.09 0.00 -0.14 -0.62 -1.06 0.00 0.00 177.43 175.52 2wnl n GLU 71 N -4.12 0.93 -2.79 0.81 1.02 -1.03 -4.29 120.64 111.17 2wnl n GLU 71 Ca 0.05 -0.45 -0.02 0.00 -0.02 0.00 0.00 57.16 56.73 2wnl n GLU 71 Cb 0.44 -1.49 0.05 0.00 -0.02 0.00 0.00 31.44 30.41 2wnl n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wnl n TYR 72 N -0.65 1.34 -1.69 -0.32 4.01 1.00 -5.01 117.16 115.85 2wnl n TYR 72 Ca 0.15 -2.16 -0.14 0.00 -0.16 0.00 0.00 57.90 55.59 2wnl n TYR 72 Cb 0.31 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 39.06 2wnl n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wnl n GLY 73 N -0.59 0.94 2.15 2.72 0.00 -0.90 -2.34 105.19 107.16 2wnl n GLY 73 Ca 0.09 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 2wnl n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wnl n ASN 74 N -0.45 -3.24 -4.69 1.61 2.85 -0.31 -5.01 115.26 106.02 2wnl n ASN 74 Ca -0.15 0.09 -0.42 0.00 -0.11 0.00 0.00 54.58 53.99 2wnl n ASN 74 Cb 0.52 -1.74 -0.03 0.00 1.24 0.00 0.00 39.78 39.77 2wnl n ASN 74 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2wnl s ILE 75 N -2.25 4.00 -0.03 -1.44 1.01 -0.99 -4.91 121.20 116.60 2wnl s ILE 75 Ca 0.00 1.37 0.13 0.00 0.00 0.00 0.00 60.65 62.15 2wnl s ILE 75 Cb 0.00 -3.88 -0.19 0.00 0.01 0.00 0.00 42.46 38.39 2wnl s ILE 75 CO 0.00 0.02 0.25 0.35 0.00 0.00 0.00 174.94 175.55 2wnl n THR 76 N 4.50 0.13 -3.57 2.92 -2.24 -1.26 -4.44 114.28 110.33 2wnl n THR 76 Ca 0.11 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 2wnl n THR 76 Cb 0.45 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 2wnl n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2wnl s ASP 77 N -3.65 -0.45 0.03 3.42 1.47 -1.26 -0.43 116.67 115.79 2wnl s ASP 77 Ca -0.05 -0.19 -0.20 0.00 1.18 0.00 0.00 52.55 53.28 2wnl s ASP 77 Cb 0.08 0.62 0.04 0.00 -0.34 0.00 0.00 42.92 43.32 2wnl s ASP 77 CO 0.53 -1.06 0.46 0.72 0.68 0.00 0.00 175.17 176.50 2wnl s PHE 78 N -3.75 -0.34 0.22 2.11 -0.12 -0.22 -4.99 117.98 110.90 2wnl s PHE 78 Ca 0.05 0.37 -0.18 0.00 -0.05 0.00 0.00 56.93 57.12 2wnl s PHE 78 Cb -0.03 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.55 2wnl s PHE 78 CO -0.06 -0.58 0.70 1.03 -0.05 0.00 0.00 175.22 176.26 2wnl s ARG 79 N -2.28 4.19 0.02 1.99 3.00 -1.26 -1.24 118.95 123.37 2wnl s ARG 79 Ca -0.06 0.80 -0.22 0.00 0.00 0.00 0.00 55.73 56.24 2wnl s ARG 79 Cb -0.01 -2.83 0.05 0.00 0.00 0.00 0.00 34.95 32.16 2wnl s ARG 79 CO -0.01 0.38 0.51 -0.08 0.00 0.00 0.00 175.30 176.10 2wnl s THR 80 N -1.57 0.03 0.28 0.02 -1.32 -0.63 -4.97 115.64 107.48 2wnl s THR 80 Ca 0.44 -0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 60.35 2wnl s THR 80 Cb -0.16 -0.94 -0.11 0.00 -1.51 0.00 0.00 72.50 69.79 2wnl s THR 80 CO 0.20 -0.14 1.60 -0.55 -2.21 0.00 0.00 174.62 173.52 2wnl s SER 81 N -1.78 6.39 0.63 8.08 0.15 -1.26 -1.14 113.70 124.76 2wnl s SER 81 Ca -0.07 2.92 0.42 0.00 0.70 0.00 0.00 55.95 59.92 2wnl s SER 81 Cb -0.01 -2.63 2.22 0.00 -1.71 0.00 0.00 66.02 63.89 2wnl s SER 81 CO 0.01 -0.91 2.28 0.00 1.20 0.00 0.00 173.24 175.82 2wnl h ALA 82 N 5.06 1.00 0.00 5.45 0.00 -1.06 0.36 119.26 130.07 2wnl h ALA 82 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wnl h ALA 82 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wnl h ALA 82 CO 0.81 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.06 2wnl h ALA 83 N 2.00 1.00 0.00 0.00 0.00 -1.90 -3.16 119.26 117.21 2wnl h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wnl h ALA 83 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wnl h ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2wnl n ASP 84 N -2.47 0.57 -4.27 0.00 8.00 0.12 -4.87 116.55 113.63 2wnl n ASP 84 Ca 0.05 0.58 -0.15 0.00 0.71 0.00 0.00 54.79 55.97 2wnl n ASP 84 Cb 0.42 -0.72 -0.10 0.00 -0.02 0.00 0.00 41.12 40.70 2wnl n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2wnl s ILE 85 N -3.12 0.93 0.35 0.53 -4.36 -1.19 -4.98 121.20 109.36 2wnl s ILE 85 Ca 0.10 -2.02 -0.27 0.00 -0.26 0.00 0.00 60.65 58.20 2wnl s ILE 85 Cb 0.13 -2.09 -0.09 0.00 1.25 0.00 0.00 42.46 41.65 2wnl s ILE 85 CO 0.52 -0.52 1.21 0.86 0.24 0.00 0.00 174.94 177.25 2wnl s TRP 86 N -3.49 3.14 0.03 1.37 -0.00 -1.26 -4.94 118.94 113.79 2wnl s TRP 86 Ca 0.23 1.52 0.02 0.00 -0.00 0.00 0.00 56.10 57.87 2wnl s TRP 86 Cb 0.05 -3.50 -0.02 0.00 -0.00 0.00 0.00 33.47 30.00 2wnl s TRP 86 CO 0.04 -1.42 -0.06 0.95 -0.00 0.00 0.00 176.95 176.46 2wnl s THR 87 N -1.26 0.42 0.59 5.86 -4.23 -1.26 -5.10 115.64 110.67 2wnl s THR 87 Ca 0.52 -0.95 -0.18 0.00 -1.18 0.00 0.00 61.69 59.90 2wnl s THR 87 Cb -0.35 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 2wnl s THR 87 CO 0.45 -0.36 1.14 -2.16 -0.54 0.00 0.00 174.62 173.15 2wnl s PRO 88 N -1.39 3.08 -0.76 3.99 0.04 -1.26 -4.94 135.00 133.76 2wnl s PRO 88 Ca -0.10 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.50 2wnl s PRO 88 Cb -0.09 -1.97 0.22 0.00 0.04 0.00 0.00 34.50 32.70 2wnl s PRO 88 CO 0.00 -1.07 2.32 -0.40 0.04 0.00 0.00 177.00 177.89 2wnl n ASP 89 N -1.73 7.16 -4.66 6.66 5.75 -1.26 -4.98 116.55 123.50 2wnl n ASP 89 Ca 0.12 -3.53 -0.42 0.00 -0.01 0.00 0.00 54.79 50.95 2wnl n ASP 89 Cb 0.51 -1.17 -0.03 0.00 -1.03 0.00 0.00 41.12 39.41 2wnl n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wnl s ILE 90 N -3.60 3.53 0.01 2.12 -1.09 -1.26 -3.16 121.20 117.75 2wnl s ILE 90 Ca 0.53 0.63 0.06 0.00 -2.23 0.00 0.00 60.65 59.65 2wnl s ILE 90 Cb 0.37 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.81 2wnl s ILE 90 CO -0.29 -0.08 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.27 2wnl s THR 91 N 4.27 1.45 0.11 2.92 2.01 0.15 -4.88 115.64 121.67 2wnl s THR 91 Ca 0.75 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 2wnl s THR 91 Cb -0.33 -1.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 2wnl s THR 91 CO 0.31 0.30 1.02 0.00 -0.69 0.00 0.00 174.62 175.56 2wnl s ALA 92 N -0.58 3.28 -0.45 7.40 0.00 -1.26 -1.48 121.76 128.67 2wnl s ALA 92 Ca 0.06 0.66 0.23 0.00 0.00 0.00 0.00 51.96 52.92 2wnl s ALA 92 Cb -0.08 -3.32 0.33 0.00 0.00 0.00 0.00 23.12 20.06 2wnl s ALA 92 CO 0.00 -0.13 1.48 1.88 0.00 0.00 0.00 175.76 178.99 2wnl h TYR 93 N 5.70 0.00 -0.03 0.00 -1.99 -0.99 -3.35 116.97 116.31 2wnl h TYR 93 Ca -0.43 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.21 2wnl h TYR 93 Cb 1.21 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 39.76 2wnl h TYR 93 CO 0.65 0.00 -0.75 -1.13 -0.00 0.00 0.00 178.16 176.93 2wnl n SER 94 N -2.79 1.48 -4.76 3.88 3.41 -1.26 -5.02 113.62 108.57 2wnl n SER 94 Ca 0.03 -3.05 -0.37 0.00 -0.26 0.00 0.00 58.87 55.22 2wnl n SER 94 Cb 0.51 -0.43 0.03 0.00 -0.26 0.00 0.00 64.21 64.06 2wnl n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wnl s SER 95 N -2.73 5.45 -0.00 4.04 1.04 -1.26 -2.33 113.70 117.91 2wnl s SER 95 Ca 0.36 2.55 0.13 0.00 0.48 0.00 0.00 55.95 59.47 2wnl s SER 95 Cb 0.38 -2.62 -0.15 0.00 0.10 0.00 0.00 66.02 63.73 2wnl s SER 95 CO -0.11 -1.43 0.47 0.35 0.98 0.00 0.00 173.24 173.50 2wnl n THR 96 N -1.06 0.00 -4.11 2.02 -2.24 0.00 -4.89 114.28 104.00 2wnl n THR 96 Ca 0.11 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 2wnl n THR 96 Cb 0.47 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.39 2wnl n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wnl s ARG 97 N -2.36 0.67 0.22 -0.78 1.81 -1.25 -5.06 118.95 112.20 2wnl s ARG 97 Ca 0.02 -1.25 -0.30 0.00 -1.72 0.00 0.00 55.73 52.47 2wnl s ARG 97 Cb 0.09 0.11 -0.10 0.00 -0.45 0.00 0.00 34.95 34.60 2wnl s ARG 97 CO 0.52 -0.09 1.47 -2.14 -0.68 0.00 0.00 175.30 174.38 2wnl s PRO 98 N -3.90 4.25 0.22 3.54 0.02 -1.26 -4.66 135.00 133.21 2wnl s PRO 98 Ca 0.09 2.31 -0.32 0.00 0.02 0.00 0.00 61.00 63.09 2wnl s PRO 98 Cb 0.07 -3.13 -0.13 0.00 0.02 0.00 0.00 34.50 31.34 2wnl s PRO 98 CO -0.08 -0.47 1.52 0.28 -0.33 0.00 0.00 177.00 177.91 2wnl n VAL 99 N 2.79 0.54 -3.67 3.83 0.31 -1.26 -4.90 118.33 115.97 2wnl n VAL 99 Ca 0.09 -0.14 -0.37 0.00 -0.01 0.00 0.00 64.34 63.91 2wnl n VAL 99 Cb 0.40 -1.59 -0.11 0.00 -0.91 0.00 0.00 33.84 31.63 2wnl n VAL 99 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2wnl s GLN 100 N 0.17 3.94 -0.14 5.55 -0.21 -0.84 -4.97 119.66 123.16 2wnl s GLN 100 Ca 0.72 -0.33 -0.28 0.00 0.02 0.00 0.00 55.36 55.49 2wnl s GLN 100 Cb -0.63 -3.53 -0.01 0.00 1.00 0.00 0.00 33.01 29.84 2wnl s GLN 100 CO 0.44 -0.07 0.93 0.08 -2.12 0.00 0.00 175.29 174.55 2wnl s VAL 101 N 1.40 4.82 -0.80 1.09 1.01 -1.26 -1.23 120.40 125.43 2wnl s VAL 101 Ca 0.07 1.86 0.17 0.00 0.00 0.00 0.00 61.98 64.08 2wnl s VAL 101 Cb -0.15 -4.23 -0.19 0.00 0.00 0.00 0.00 36.38 31.81 2wnl s VAL 101 CO 0.07 0.00 0.73 0.18 0.00 0.00 0.00 175.10 176.08 2wnl n LEU 102 N 5.19 0.80 -4.41 3.92 4.77 0.10 -4.98 117.00 122.37 2wnl n LEU 102 Ca 0.07 -0.49 -0.21 0.00 -0.03 0.00 0.00 56.01 55.36 2wnl n LEU 102 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2wnl n LEU 102 CO 0.50 0.20 -0.38 -0.94 -1.33 0.00 0.00 177.39 175.44 2wnl s SER 103 N -2.68 2.77 0.40 -1.43 1.04 -1.23 -4.92 113.70 107.64 2wnl s SER 103 Ca 0.06 -1.15 -0.26 0.00 0.48 0.00 0.00 55.95 55.08 2wnl s SER 103 Cb 0.13 -0.17 -0.10 0.00 0.10 0.00 0.00 66.02 65.98 2wnl s SER 103 CO 0.71 -0.29 1.29 -2.65 0.98 0.00 0.00 173.24 173.28 2wnl n PRO 104 N -0.55 2.03 -2.48 4.02 -0.02 -1.26 -4.83 135.00 131.91 2wnl n PRO 104 Ca -0.06 0.72 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 2wnl n PRO 104 Cb 0.63 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2wnl n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wnl n GLN 105 N 0.19 3.68 -4.19 -0.52 1.13 -1.26 -4.85 117.38 111.56 2wnl n GLN 105 Ca 0.06 -3.67 -0.23 0.00 -1.94 0.00 0.00 57.00 51.21 2wnl n GLN 105 Cb 0.39 -2.89 -0.17 0.00 0.11 0.00 0.00 30.24 27.68 2wnl n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wnl s ILE 106 N 0.19 0.83 0.21 5.09 1.01 -1.26 -0.40 121.20 126.86 2wnl s ILE 106 Ca 0.39 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.84 2wnl s ILE 106 Cb 0.08 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 2wnl s ILE 106 CO 0.01 0.31 0.25 0.00 0.00 0.00 0.00 174.94 175.51 2wnl s ALA 107 N 1.15 3.77 -0.15 9.38 0.00 -0.29 -4.64 121.76 130.97 2wnl s ALA 107 Ca -0.06 -1.23 -0.05 0.00 0.00 0.00 0.00 51.96 50.61 2wnl s ALA 107 Cb -0.14 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2wnl s ALA 107 CO -0.01 0.36 0.02 0.08 0.00 0.00 0.00 175.76 176.21 2wnl s VAL 108 N -1.92 4.44 -0.11 0.00 1.01 -0.51 -1.60 120.40 121.71 2wnl s VAL 108 Ca 0.33 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2wnl s VAL 108 Cb -0.09 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2wnl s VAL 108 CO 0.27 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.98 2wnl s VAL 109 N 0.07 2.39 0.22 2.92 1.01 -0.37 -1.07 120.40 125.57 2wnl s VAL 109 Ca 0.03 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2wnl s VAL 109 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2wnl s VAL 109 CO 0.02 0.55 0.09 -0.89 0.00 0.00 0.00 175.10 174.87 2wnl s THR 110 N 0.31 4.05 0.58 3.92 2.01 -0.35 -1.05 115.64 125.11 2wnl s THR 110 Ca -0.16 -1.48 0.41 0.00 0.31 0.00 0.00 61.69 60.78 2wnl s THR 110 Cb -0.17 -3.13 0.43 0.00 0.01 0.00 0.00 72.50 69.64 2wnl s THR 110 CO 0.08 -0.26 2.31 1.12 -0.69 0.00 0.00 174.62 177.17 2wnl h HIS 111 N 2.01 0.00 -0.00 4.92 2.07 -1.06 -1.22 115.15 121.88 2wnl h HIS 111 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2wnl h HIS 111 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2wnl h HIS 111 CO 0.61 0.01 -0.02 -0.40 -3.07 0.00 0.00 177.93 175.05 2wnl n ASP 112 N -3.18 0.13 0.00 3.10 5.68 -1.26 -2.06 116.55 118.96 2wnl n ASP 112 Ca -0.03 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.70 2wnl n ASP 112 Cb 0.11 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2wnl n ASP 112 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wnl n GLY 113 N 1.18 0.58 3.80 6.12 0.00 -0.46 -4.73 105.19 111.68 2wnl n GLY 113 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2wnl n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wnl s SER 114 N -2.68 7.23 0.00 1.61 1.04 -1.24 -0.60 113.70 119.06 2wnl s SER 114 Ca 0.00 1.59 0.08 0.00 0.48 0.00 0.00 55.95 58.10 2wnl s SER 114 Cb 0.00 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 2wnl s SER 114 CO 0.00 0.06 -0.25 -0.69 0.98 0.00 0.00 173.24 173.34 2wnl s VAL 115 N -1.43 2.16 -0.08 5.02 1.01 0.62 -1.21 120.40 126.49 2wnl s VAL 115 Ca 0.42 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2wnl s VAL 115 Cb -0.19 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2wnl s VAL 115 CO 0.23 0.50 -0.16 -0.32 0.00 0.00 0.00 175.10 175.35 2wnl s MET 116 N -0.86 2.14 -0.05 2.72 1.75 -0.23 -2.39 119.30 122.38 2wnl s MET 116 Ca 0.11 -0.56 -0.01 0.00 -1.25 0.00 0.00 55.69 53.97 2wnl s MET 116 Cb -0.10 -1.70 0.03 0.00 2.84 0.00 0.00 34.83 35.90 2wnl s MET 116 CO 0.00 0.08 0.02 0.12 -0.65 0.00 0.00 175.02 174.59 2wnl s PHE 117 N 0.56 0.38 -0.59 4.11 5.36 0.17 -1.43 117.98 126.55 2wnl s PHE 117 Ca -0.16 0.01 0.05 0.00 -0.96 0.00 0.00 56.93 55.88 2wnl s PHE 117 Cb -0.17 -0.60 0.20 0.00 -0.34 0.00 0.00 43.02 42.12 2wnl s PHE 117 CO 0.05 -0.23 0.52 -0.89 -1.46 0.00 0.00 175.22 173.21 2wnl n ILE 118 N 4.92 0.90 -2.56 3.12 5.41 -1.26 -0.53 119.36 129.35 2wnl n ILE 118 Ca -0.11 -4.53 -0.39 0.00 1.00 0.00 0.00 62.75 58.73 2wnl n ILE 118 Cb 0.50 -2.02 -0.05 0.00 -0.71 0.00 0.00 39.64 37.36 2wnl n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wnl s PRO 119 N -1.32 4.53 -0.09 0.38 0.04 -1.22 -4.78 135.00 132.53 2wnl s PRO 119 Ca 0.31 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 2wnl s PRO 119 Cb 0.04 -2.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.56 2wnl s PRO 119 CO -0.14 0.16 0.26 0.00 0.04 0.00 0.00 177.00 177.32 2wnl s ALA 120 N -1.35 3.75 0.02 8.56 0.00 -1.26 -1.59 121.76 129.88 2wnl s ALA 120 Ca 0.48 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 2wnl s ALA 120 Cb -0.27 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 2wnl s ALA 120 CO 0.34 0.43 0.03 -0.65 0.00 0.00 0.00 175.76 175.91 2wnl s GLN 121 N -0.64 0.41 -0.21 0.00 -0.21 -0.21 0.01 119.66 118.81 2wnl s GLN 121 Ca 0.18 -0.62 -0.05 0.00 0.02 0.00 0.00 55.36 54.89 2wnl s GLN 121 Cb -0.14 0.15 -0.02 0.00 1.00 0.00 0.00 33.01 34.01 2wnl s GLN 121 CO 0.07 -0.08 -0.00 0.50 -2.12 0.00 0.00 175.29 173.65 2wnl s ARG 122 N -1.74 3.56 -0.02 2.91 3.52 -0.37 -1.79 118.95 125.02 2wnl s ARG 122 Ca -0.13 -0.54 0.06 0.00 -0.13 0.00 0.00 55.73 54.99 2wnl s ARG 122 Cb -0.07 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2wnl s ARG 122 CO -0.01 -0.07 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.04 2wnl s LEU 123 N 1.22 2.47 -0.18 -0.88 2.96 -0.29 -1.99 118.68 121.99 2wnl s LEU 123 Ca 0.03 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 2wnl s LEU 123 Cb -0.15 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2wnl s LEU 123 CO 0.01 0.32 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.88 2wnl s SER 124 N -0.83 4.63 0.28 3.68 0.01 -1.26 -0.65 113.70 119.56 2wnl s SER 124 Ca 0.12 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.19 2wnl s SER 124 Cb -0.10 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2wnl s SER 124 CO 0.01 0.11 0.18 0.72 0.41 0.00 0.00 173.24 174.66 2wnl s PHE 125 N 0.74 1.51 -0.43 2.43 -0.12 -0.43 -0.82 117.98 120.86 2wnl s PHE 125 Ca -0.02 -1.45 -0.29 0.00 -0.05 0.00 0.00 56.93 55.13 2wnl s PHE 125 Cb -0.14 -0.73 0.03 0.00 -0.63 0.00 0.00 43.02 41.54 2wnl s PHE 125 CO 0.02 -0.65 1.09 -1.64 -0.05 0.00 0.00 175.22 174.00 2wnl s MET 126 N -3.83 3.81 -0.14 1.99 -1.94 -0.98 -1.71 119.30 116.50 2wnl s MET 126 Ca 0.38 0.67 -0.07 0.00 -1.71 0.00 0.00 55.69 54.97 2wnl s MET 126 Cb 0.05 -3.86 0.06 0.00 2.01 0.00 0.00 34.83 33.09 2wnl s MET 126 CO 0.18 -1.22 0.32 0.00 -0.01 0.00 0.00 175.02 174.30 2wnl s ASP 128 N 1.64 6.23 0.00 0.00 2.15 -1.26 -3.49 116.67 121.93 2wnl s ASP 128 Ca -0.07 -0.91 0.00 0.00 0.43 0.00 0.00 52.55 52.00 2wnl s ASP 128 Cb -0.10 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2wnl s ASP 128 CO -0.10 -1.15 0.76 -0.81 -0.17 0.00 0.00 175.17 173.70 2wnl n PRO 129 N 6.87 0.89 -1.70 4.34 -0.04 -1.26 -4.67 135.00 139.43 2wnl n PRO 129 Ca -0.05 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 2wnl n PRO 129 Cb 0.45 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 2wnl n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2wnl n THR 130 N -0.34 0.26 -0.22 0.52 -1.04 -1.26 -1.69 114.28 110.51 2wnl n THR 130 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2wnl n THR 130 Cb 0.06 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 2wnl n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wnl n GLY 131 N 4.12 0.73 0.24 3.41 0.00 -1.26 -4.48 105.19 107.95 2wnl n GLY 131 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2wnl n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2wnl h VAL 132 N 0.00 0.17 -0.76 1.61 3.04 -1.50 -1.78 116.25 117.03 2wnl h VAL 132 Ca 0.00 -0.85 -0.24 0.00 -1.01 0.00 0.00 66.70 64.59 2wnl h VAL 132 Cb 0.00 1.73 -0.15 0.00 -2.01 0.00 0.00 31.29 30.87 2wnl h VAL 132 CO 0.00 0.08 0.31 -0.90 -1.01 0.00 0.00 177.57 176.05 2wnl n ASP 133 N -3.17 4.73 -4.74 3.17 5.75 -1.26 0.35 116.55 121.39 2wnl n ASP 133 Ca 0.01 -3.23 -0.32 0.00 -0.01 0.00 0.00 54.79 51.24 2wnl n ASP 133 Cb 0.41 -0.76 -0.08 0.00 -1.03 0.00 0.00 41.12 39.66 2wnl n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wnl s SER 134 N -0.99 4.09 0.14 -1.12 1.04 -0.68 -5.01 113.70 111.16 2wnl s SER 134 Ca 0.55 -1.60 0.22 0.00 0.48 0.00 0.00 55.95 55.60 2wnl s SER 134 Cb 0.44 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.84 2wnl s SER 134 CO 0.13 -0.78 0.93 -1.84 0.98 0.00 0.00 173.24 172.66 2wnl n GLU 135 N -1.21 0.58 -0.05 4.02 0.28 -1.26 -3.55 120.64 119.44 2wnl n GLU 135 Ca -0.16 0.04 -0.13 0.00 -0.16 0.00 0.00 57.16 56.75 2wnl n GLU 135 Cb 0.67 -1.74 -0.01 0.00 1.43 0.00 0.00 31.44 31.79 2wnl n GLU 135 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2wnl h GLU 136 N 0.00 0.78 0.00 3.44 5.08 -1.98 -3.50 114.58 118.41 2wnl h GLU 136 Ca 0.00 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2wnl h GLU 136 Cb 0.97 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2wnl h GLU 136 CO 0.00 1.13 0.00 0.41 -1.00 0.00 0.00 179.01 179.55 2wnl n GLY 137 N 0.34 -1.77 3.54 -3.84 0.00 -1.15 -4.87 105.19 97.44 2wnl n GLY 137 Ca -0.04 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 2wnl n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnl s ALA 138 N -1.90 2.83 -0.05 4.61 0.00 -0.39 -4.25 121.76 122.61 2wnl s ALA 138 Ca 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.73 2wnl s ALA 138 Cb 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2wnl s ALA 138 CO 0.00 0.62 -0.24 0.99 0.00 0.00 0.00 175.76 177.13 2wnl s THR 139 N -1.18 2.17 0.17 0.00 2.01 -1.26 -2.25 115.64 115.30 2wnl s THR 139 Ca 0.20 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 2wnl s THR 139 Cb -0.11 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 2wnl s THR 139 CO 0.12 0.57 0.23 0.00 -0.69 0.00 0.00 174.62 174.85 2wnl s ALA 141 N -4.01 -1.02 -0.07 0.00 0.00 -1.26 -0.83 121.76 114.57 2wnl s ALA 141 Ca 0.22 0.90 -0.05 0.00 0.00 0.00 0.00 51.96 53.04 2wnl s ALA 141 Cb 0.04 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.83 2wnl s ALA 141 CO 0.03 -0.23 0.17 0.54 0.00 0.00 0.00 175.76 176.26 2wnl s VAL 142 N -0.43 -0.03 -0.10 0.00 0.11 -0.53 -4.88 120.40 114.54 2wnl s VAL 142 Ca -0.06 0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.95 2wnl s VAL 142 Cb -0.03 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 2wnl s VAL 142 CO 0.03 0.04 0.32 -0.54 -3.33 0.00 0.00 175.10 171.62 2wnl s LYS 143 N 0.72 4.05 -0.04 1.54 1.02 -1.26 -0.62 119.74 125.14 2wnl s LYS 143 Ca -0.05 0.19 0.06 0.00 0.02 0.00 0.00 55.97 56.18 2wnl s LYS 143 Cb -0.07 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2wnl s LYS 143 CO -0.04 0.44 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.55 2wnl s PHE 144 N -0.17 2.50 0.12 3.18 0.08 -0.51 -0.24 117.98 122.94 2wnl s PHE 144 Ca 0.19 -0.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.56 2wnl s PHE 144 Cb -0.14 -1.58 0.08 0.00 -0.57 0.00 0.00 43.02 40.81 2wnl s PHE 144 CO 0.07 -0.02 1.11 0.20 -0.10 0.00 0.00 175.22 176.47 2wnl s GLY 145 N -0.48 -0.05 0.25 4.36 0.00 -0.55 -0.29 107.32 110.57 2wnl s GLY 145 Ca 0.06 -0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.41 2wnl s GLY 145 CO 0.01 2.39 1.49 -0.45 0.00 0.00 0.00 173.10 176.54 2wnl s SER 146 N -3.36 6.57 0.07 1.64 0.15 -1.26 0.29 113.70 117.81 2wnl s SER 146 Ca 0.21 2.74 -0.09 0.00 0.70 0.00 0.00 55.95 59.50 2wnl s SER 146 Cb -0.01 -2.62 -0.26 0.00 -1.71 0.00 0.00 66.02 61.42 2wnl s SER 146 CO 0.03 -0.77 1.14 -0.25 1.20 0.00 0.00 173.24 174.59 2wnl h TRP 147 N 5.17 0.74 0.00 3.44 2.91 -1.88 -3.40 115.95 122.94 2wnl h TRP 147 Ca -0.46 -0.49 0.00 0.00 1.13 0.00 0.00 58.89 59.07 2wnl h TRP 147 Cb 1.22 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2wnl h TRP 147 CO 0.60 1.36 -1.44 1.33 -1.03 0.00 0.00 178.44 179.26 2wnl n VAL 148 N -3.68 0.00 -3.72 2.65 0.24 -1.26 -4.96 118.33 107.60 2wnl n VAL 148 Ca -0.11 -0.29 -0.35 0.00 -2.04 0.00 0.00 64.34 61.55 2wnl n VAL 148 Cb 0.99 0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 33.62 2wnl n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2wnl s TYR 149 N -2.81 3.41 1.01 6.34 2.02 -1.26 -5.09 117.35 120.97 2wnl s TYR 149 Ca -0.03 0.33 -0.15 0.00 -0.37 0.00 0.00 57.07 56.85 2wnl s TYR 149 Cb 0.09 -2.17 0.20 0.00 -0.40 0.00 0.00 41.96 39.68 2wnl s TYR 149 CO 0.56 0.28 1.16 -1.54 -1.57 0.00 0.00 175.55 174.44 2wnl s SER 150 N 0.38 2.58 0.12 2.29 1.04 -1.26 -4.68 113.70 114.17 2wnl s SER 150 Ca 0.08 0.77 0.13 0.00 0.48 0.00 0.00 55.95 57.41 2wnl s SER 150 Cb -0.11 -1.17 0.59 0.00 0.10 0.00 0.00 66.02 65.43 2wnl s SER 150 CO -0.02 -3.11 1.39 0.61 0.98 0.00 0.00 173.24 173.09 2wnl n GLY 151 N -1.99 -0.83 0.13 7.32 0.00 0.39 -1.37 105.19 108.83 2wnl n GLY 151 Ca 0.10 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2wnl n GLY 151 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wnl h PHE 152 N 0.00 0.00 0.00 1.61 0.04 -1.92 -3.39 116.94 113.28 2wnl h PHE 152 Ca 0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 2wnl h PHE 152 Cb 0.12 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 2wnl h PHE 152 CO 0.00 0.00 -1.56 0.39 -0.60 0.00 0.00 178.31 176.54 2wnl n GLU 153 N -2.47 0.23 -4.03 1.51 4.71 -0.47 -4.43 120.64 115.69 2wnl n GLU 153 Ca 0.05 0.08 -0.31 0.00 -0.01 0.00 0.00 57.16 56.96 2wnl n GLU 153 Cb 0.46 -1.03 -0.16 0.00 -1.01 0.00 0.00 31.44 29.70 2wnl n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2wnl s ILE 154 N -2.19 1.71 0.18 -3.67 1.01 -0.65 -0.79 121.20 116.80 2wnl s ILE 154 Ca -0.14 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.68 2wnl s ILE 154 Cb 0.04 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2wnl s ILE 154 CO 0.20 0.36 0.32 -0.62 0.00 0.00 0.00 174.94 175.21 2wnl s ASP 155 N 1.40 6.34 0.11 3.58 -1.08 -0.15 -4.09 116.67 122.79 2wnl s ASP 155 Ca 0.02 0.20 0.08 0.00 -0.52 0.00 0.00 52.55 52.34 2wnl s ASP 155 Cb -0.14 -1.92 -0.04 0.00 -1.46 0.00 0.00 42.92 39.36 2wnl s ASP 155 CO -0.10 0.00 -0.20 -0.76 0.52 0.00 0.00 175.17 174.63 2wnl s LEU 156 N -3.42 2.33 0.08 -1.34 1.43 -1.26 -1.07 118.68 115.43 2wnl s LEU 156 Ca 0.35 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 2wnl s LEU 156 Cb -0.11 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.29 2wnl s LEU 156 CO 0.29 0.03 0.35 -1.59 0.23 0.00 0.00 176.35 175.65 2wnl s LYS 157 N -2.10 0.93 0.29 1.70 -2.85 -0.67 -4.94 119.74 112.10 2wnl s LYS 157 Ca 0.08 -0.61 0.07 0.00 -1.00 0.00 0.00 55.97 54.51 2wnl s LYS 157 Cb -0.09 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 2wnl s LYS 157 CO 0.05 -0.33 0.23 0.95 0.10 0.00 0.00 175.35 176.35 2wnl s THR 158 N -3.17 4.03 -0.09 3.79 -4.23 -1.26 -1.38 115.64 113.34 2wnl s THR 158 Ca -0.01 -1.40 0.15 0.00 -1.18 0.00 0.00 61.69 59.25 2wnl s THR 158 Cb 0.01 -3.30 -0.17 0.00 1.34 0.00 0.00 72.50 70.38 2wnl s THR 158 CO -0.07 -0.28 0.78 0.44 -0.54 0.00 0.00 174.62 174.95 2wnl h ASP 159 N 1.40 0.00 -5.16 3.99 3.32 -1.97 -3.49 116.42 114.51 2wnl h ASP 159 Ca -0.47 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 2wnl h ASP 159 Cb 1.25 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.66 2wnl h ASP 159 CO 0.60 0.76 -0.29 0.28 -1.72 0.00 0.00 179.24 178.87 2wnl s THR 160 N -2.79 0.11 -1.89 0.35 -1.32 -1.26 -5.03 115.64 103.82 2wnl s THR 160 Ca -0.03 -1.08 0.29 0.00 -1.21 0.00 0.00 61.69 59.65 2wnl s THR 160 Cb 0.08 -1.40 0.54 0.00 -1.51 0.00 0.00 72.50 70.21 2wnl s THR 160 CO 0.82 -0.50 1.88 0.47 -2.21 0.00 0.00 174.62 175.07 2wnl n ASP 161 N -0.13 0.64 -4.44 8.08 8.00 -1.26 -4.78 116.55 122.67 2wnl n ASP 161 Ca -0.14 -0.86 -0.37 0.00 0.71 0.00 0.00 54.79 54.13 2wnl n ASP 161 Cb 0.63 -0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.58 2wnl n ASP 161 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wnl s GLN 162 N -2.30 3.47 0.21 -1.24 2.00 -1.26 -1.12 119.66 119.42 2wnl s GLN 162 Ca 0.34 -0.61 -0.31 0.00 -2.00 0.00 0.00 55.36 52.78 2wnl s GLN 162 Cb 0.20 -3.43 -0.10 0.00 0.80 0.00 0.00 33.01 30.48 2wnl s GLN 162 CO 0.43 -0.31 1.45 0.08 -0.50 0.00 0.00 175.29 176.45 2wnl s VAL 163 N 1.60 2.77 0.00 1.34 1.01 -0.86 -4.88 120.40 121.39 2wnl s VAL 163 Ca 0.05 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 2wnl s VAL 163 Cb -0.16 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 2wnl s VAL 163 CO 0.05 0.08 1.67 -0.62 0.00 0.00 0.00 175.10 176.27 2wnl s ASP 164 N 0.64 6.64 -0.06 3.32 -1.08 -0.65 -4.87 116.67 120.61 2wnl s ASP 164 Ca 0.62 2.36 0.09 0.00 -0.52 0.00 0.00 52.55 55.10 2wnl s ASP 164 Cb -0.41 -2.55 0.18 0.00 -1.46 0.00 0.00 42.92 38.68 2wnl s ASP 164 CO 0.38 -0.91 1.12 0.18 0.52 0.00 0.00 175.17 176.46 2wnl n LEU 165 N 6.49 2.41 0.22 -1.34 4.77 -1.26 -1.78 117.00 126.51 2wnl n LEU 165 Ca 0.17 -2.44 0.10 0.00 -0.03 0.00 0.00 56.01 53.80 2wnl n LEU 165 Cb 0.42 -0.22 0.45 0.00 -2.33 0.00 0.00 43.42 41.74 2wnl n LEU 165 CO 0.63 0.61 0.79 0.77 -1.33 0.00 0.00 177.39 178.86 2wnl h SER 166 N 0.43 0.00 -0.53 -1.43 4.64 -1.89 -2.85 113.55 111.92 2wnl h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnl h SER 166 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2wnl h SER 166 CO 0.02 0.23 0.00 -1.20 -0.87 0.00 0.00 176.83 175.01 2wnl n SER 167 N -3.40 3.75 -4.77 4.97 7.64 -1.26 -5.01 113.62 115.55 2wnl n SER 167 Ca 0.00 -2.18 -0.39 0.00 1.01 0.00 0.00 58.87 57.30 2wnl n SER 167 Cb 0.44 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2wnl n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wnl s TYR 168 N -1.34 2.81 -0.16 1.43 5.04 -1.08 -4.66 117.35 119.40 2wnl s TYR 168 Ca 0.39 1.41 -0.29 0.00 -2.44 0.00 0.00 57.07 56.14 2wnl s TYR 168 Cb 0.23 -3.67 -0.03 0.00 0.35 0.00 0.00 41.96 38.84 2wnl s TYR 168 CO 0.23 -2.10 1.48 -0.47 -1.34 0.00 0.00 175.55 173.35 2wnl s TYR 169 N -1.26 2.36 0.05 4.97 5.04 0.54 -4.89 117.35 124.15 2wnl s TYR 169 Ca 0.57 0.62 0.33 0.00 -2.44 0.00 0.00 57.07 56.15 2wnl s TYR 169 Cb -0.38 -3.80 1.32 0.00 0.35 0.00 0.00 41.96 39.46 2wnl s TYR 169 CO 0.49 -2.70 1.96 0.00 -1.34 0.00 0.00 175.55 173.96 2wnl h ALA 170 N 9.39 1.00 -0.30 3.97 0.00 -1.90 -2.70 119.26 128.73 2wnl h ALA 170 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wnl h ALA 170 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wnl h ALA 170 CO 0.98 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.66 2wnl n SER 171 N -3.02 3.97 -4.49 0.00 7.64 -1.26 -5.03 113.62 111.42 2wnl n SER 171 Ca 0.01 -2.92 -0.33 0.00 1.01 0.00 0.00 58.87 56.64 2wnl n SER 171 Cb 0.30 -0.53 0.13 0.00 -1.01 0.00 0.00 64.21 63.10 2wnl n SER 171 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wnl n SER 172 N -0.31 -1.27 0.15 6.43 2.88 -1.02 -4.92 113.62 115.56 2wnl n SER 172 Ca 0.21 0.39 -0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2wnl n SER 172 Cb 0.88 -1.29 0.22 0.00 -0.75 0.00 0.00 64.21 63.27 2wnl n SER 172 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wnl h LYS 173 N -1.51 0.02 -6.48 -1.46 1.79 -1.91 -3.44 116.57 103.57 2wnl h LYS 173 Ca -0.44 -0.01 -0.70 0.00 -2.18 0.00 0.00 60.65 57.33 2wnl h LYS 173 Cb 1.29 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.64 2wnl h LYS 173 CO 0.37 0.56 -0.88 0.71 -1.08 0.00 0.00 179.45 179.12 2wnl s TYR 174 N -3.79 2.37 0.13 -1.35 2.02 -1.26 -1.21 117.35 114.26 2wnl s TYR 174 Ca -0.02 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.22 2wnl s TYR 174 Cb 0.13 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 2wnl s TYR 174 CO 0.75 -0.07 0.26 -1.83 -1.57 0.00 0.00 175.55 173.10 2wnl s GLU 175 N -0.53 3.42 -0.19 -0.62 -1.05 -0.35 -4.79 118.70 114.58 2wnl s GLU 175 Ca 0.07 -0.58 -0.15 0.00 -0.15 0.00 0.00 54.97 54.17 2wnl s GLU 175 Cb -0.11 -2.97 -0.04 0.00 -0.44 0.00 0.00 34.13 30.57 2wnl s GLU 175 CO -0.00 0.54 0.35 0.42 0.95 0.00 0.00 175.26 177.52 2wnl s ILE 176 N -1.69 5.24 -0.20 1.83 -1.09 -1.26 -2.18 121.20 121.85 2wnl s ILE 176 Ca 0.34 0.62 -0.19 0.00 -2.23 0.00 0.00 60.65 59.19 2wnl s ILE 176 Cb -0.11 -3.69 -0.20 0.00 -1.58 0.00 0.00 42.46 36.88 2wnl s ILE 176 CO 0.28 0.29 0.23 0.18 -1.23 0.00 0.00 174.94 174.69 2wnl n LEU 177 N 4.22 1.97 -3.71 2.97 4.77 0.13 -4.97 117.00 122.39 2wnl n LEU 177 Ca -0.10 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 2wnl n LEU 177 Cb 0.51 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 2wnl n LEU 177 CO 0.39 0.36 0.07 -0.94 -1.33 0.00 0.00 177.39 175.95 2wnl s SER 178 N -6.90 -0.11 -0.27 -1.43 1.04 -1.06 -4.98 113.70 99.99 2wnl s SER 178 Ca -0.28 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 2wnl s SER 178 Cb 0.06 0.42 0.16 0.00 0.10 0.00 0.00 66.02 66.76 2wnl s SER 178 CO 0.61 -0.80 0.46 0.00 0.98 0.00 0.00 173.24 174.49 2wnl s ALA 179 N -3.77 -1.51 0.25 5.32 0.00 -1.26 -0.83 121.76 119.95 2wnl s ALA 179 Ca 0.03 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.08 2wnl s ALA 179 Cb 0.03 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2wnl s ALA 179 CO -0.11 -1.43 0.03 0.95 0.00 0.00 0.00 175.76 175.20 2wnl s THR 180 N 2.65 3.68 -0.15 0.00 -4.23 -0.57 -2.02 115.64 114.99 2wnl s THR 180 Ca 0.14 -1.74 -0.01 0.00 -1.18 0.00 0.00 61.69 58.90 2wnl s THR 180 Cb -0.14 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.78 2wnl s THR 180 CO -0.21 -0.33 -0.05 0.00 -0.54 0.00 0.00 174.62 173.50 2wnl s GLN 181 N -3.59 1.33 -0.08 3.99 -2.07 -0.27 -1.50 119.66 117.47 2wnl s GLN 181 Ca 0.31 -0.42 0.00 0.00 -1.82 0.00 0.00 55.36 53.43 2wnl s GLN 181 Cb -0.07 -1.87 0.02 0.00 -1.09 0.00 0.00 33.01 30.00 2wnl s GLN 181 CO 0.21 -0.41 -0.07 0.99 -1.32 0.00 0.00 175.29 174.69 2wnl s THR 182 N 1.69 0.85 0.11 3.63 2.01 0.14 -4.39 115.64 119.69 2wnl s THR 182 Ca 0.02 -0.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.47 2wnl s THR 182 Cb -0.15 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.40 2wnl s THR 182 CO -0.08 0.32 1.62 -0.60 -0.69 0.00 0.00 174.62 175.20 2wnl s ARG 183 N 1.34 4.20 0.26 4.92 3.52 -1.26 -0.40 118.95 131.53 2wnl s ARG 183 Ca -0.03 2.36 0.10 0.00 -0.13 0.00 0.00 55.73 58.03 2wnl s ARG 183 Cb -0.14 -3.40 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 2wnl s ARG 183 CO -0.03 -0.68 -0.17 -0.65 -0.81 0.00 0.00 175.30 172.96 2wnl s GLN 184 N 1.98 1.58 -0.10 5.12 -0.21 0.11 -4.92 119.66 123.22 2wnl s GLN 184 Ca 0.73 -1.73 0.03 0.00 0.02 0.00 0.00 55.36 54.40 2wnl s GLN 184 Cb -0.42 -1.53 0.01 0.00 1.00 0.00 0.00 33.01 32.07 2wnl s GLN 184 CO 0.32 0.25 -0.18 0.08 -2.12 0.00 0.00 175.29 173.64 2wnl s VAL 185 N -2.69 1.65 -0.00 1.09 1.01 -1.26 -1.64 120.40 118.55 2wnl s VAL 185 Ca 0.28 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 2wnl s VAL 185 Cb -0.03 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 2wnl s VAL 185 CO 0.12 0.47 0.04 -1.58 0.00 0.00 0.00 175.10 174.15 2wnl s GLN 186 N 0.72 0.20 -0.12 2.72 0.74 -0.41 -4.97 119.66 118.54 2wnl s GLN 186 Ca -0.12 -0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.11 2wnl s GLN 186 Cb -0.16 0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.03 2wnl s GLN 186 CO 0.02 -0.04 -0.21 -1.01 -0.55 0.00 0.00 175.29 173.50 2wnl s HIS 187 N -0.66 2.64 0.37 1.67 3.76 -1.26 -0.04 115.29 121.77 2wnl s HIS 187 Ca -0.07 -1.11 0.08 0.00 -0.15 0.00 0.00 55.06 53.80 2wnl s HIS 187 Cb -0.05 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 2wnl s HIS 187 CO -0.00 -0.47 0.18 0.71 -0.85 0.00 0.00 174.74 174.30 2wnl s TYR 188 N 0.56 2.67 0.11 1.40 1.51 -1.26 -5.05 117.35 117.29 2wnl s TYR 188 Ca -0.13 -0.46 -0.13 0.00 -1.01 0.00 0.00 57.07 55.35 2wnl s TYR 188 Cb -0.17 -1.79 -0.11 0.00 -0.11 0.00 0.00 41.96 39.78 2wnl s TYR 188 CO 0.04 0.25 1.37 1.03 -1.11 0.00 0.00 175.55 177.12 2wnl h SER 189 N 1.46 0.93 -0.92 2.29 0.87 -2.00 -3.13 113.55 113.05 2wnl h SER 189 Ca -0.43 -0.56 0.26 0.00 -1.23 0.00 0.00 61.79 59.83 2wnl h SER 189 Cb 1.25 -0.27 -0.16 0.00 -0.44 0.00 0.00 62.40 62.79 2wnl h SER 189 CO 0.65 1.33 0.21 0.00 -0.53 0.00 0.00 176.83 178.48 2wnl n PRO 192 N 1.43 2.24 -4.04 0.00 -0.04 -1.26 -4.28 135.00 129.06 2wnl n PRO 192 Ca -0.23 -1.89 -0.29 0.00 -0.04 0.00 0.00 63.50 61.06 2wnl n PRO 192 Cb 0.55 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2wnl n PRO 192 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wnl s GLU 193 N -1.53 3.00 0.42 0.54 8.01 -1.26 -5.06 118.70 122.82 2wnl s GLU 193 Ca 0.37 -0.72 -0.25 0.00 0.01 0.00 0.00 54.97 54.37 2wnl s GLU 193 Cb 0.21 -2.75 -0.08 0.00 -4.31 0.00 0.00 34.13 27.19 2wnl s GLU 193 CO 0.29 0.54 1.24 -2.14 0.01 0.00 0.00 175.26 175.20 2wnl s PRO 194 N -2.74 3.91 -0.08 0.39 0.02 -1.26 -4.60 135.00 130.64 2wnl s PRO 194 Ca 0.31 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.37 2wnl s PRO 194 Cb -0.11 -2.65 -0.02 0.00 0.02 0.00 0.00 34.50 31.74 2wnl s PRO 194 CO 0.24 -0.49 -0.17 0.71 -0.33 0.00 0.00 177.00 176.95 2wnl s TYR 195 N -1.35 2.66 -0.06 6.54 2.02 0.94 0.15 117.35 128.25 2wnl s TYR 195 Ca 0.59 -0.49 -0.08 0.00 -0.37 0.00 0.00 57.07 56.71 2wnl s TYR 195 Cb -0.35 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 2wnl s TYR 195 CO 0.44 -0.07 0.23 0.42 -1.57 0.00 0.00 175.55 175.00 2wnl s ILE 196 N -0.20 5.35 0.05 2.71 -1.09 -1.26 -1.29 121.20 125.47 2wnl s ILE 196 Ca -0.01 0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.72 2wnl s ILE 196 Cb -0.13 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2wnl s ILE 196 CO 0.03 0.53 -0.00 1.51 -1.23 0.00 0.00 174.94 175.78 2wnl s ASP 197 N -1.25 0.40 -0.26 3.58 1.47 -0.65 -4.22 116.67 115.74 2wnl s ASP 197 Ca 0.21 -0.85 -0.07 0.00 1.18 0.00 0.00 52.55 53.02 2wnl s ASP 197 Cb -0.13 0.20 -0.01 0.00 -0.34 0.00 0.00 42.92 42.63 2wnl s ASP 197 CO 0.10 -0.55 0.05 -0.69 0.68 0.00 0.00 175.17 174.76 2wnl s VAL 198 N -3.41 4.04 -0.15 2.11 1.01 0.61 0.08 120.40 124.70 2wnl s VAL 198 Ca 0.02 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 2wnl s VAL 198 Cb 0.04 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2wnl s VAL 198 CO -0.08 0.27 0.44 0.21 0.00 0.00 0.00 175.10 175.95 2wnl s ASN 199 N 1.56 6.59 -0.30 3.32 3.04 0.47 -1.42 114.94 128.19 2wnl s ASN 199 Ca 0.05 0.70 -0.05 0.00 0.04 0.00 0.00 52.86 53.60 2wnl s ASN 199 Cb -0.16 -2.26 0.03 0.00 -1.54 0.00 0.00 41.25 37.32 2wnl s ASN 199 CO 0.02 -0.02 0.06 -0.22 -3.04 0.00 0.00 177.10 173.90 2wnl s LEU 200 N 0.86 3.92 -0.20 3.21 2.96 0.21 -0.68 118.68 128.96 2wnl s LEU 200 Ca 0.23 -0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 53.15 2wnl s LEU 200 Cb -0.15 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2wnl s LEU 200 CO 0.09 -0.24 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.17 2wnl s VAL 201 N 1.41 3.73 -0.10 1.68 1.01 -0.56 -1.45 120.40 126.12 2wnl s VAL 201 Ca -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2wnl s VAL 201 Cb -0.18 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.53 2wnl s VAL 201 CO 0.01 0.44 -0.19 -0.69 0.00 0.00 0.00 175.10 174.67 2wnl s VAL 202 N 1.05 1.71 -0.13 2.92 1.01 -0.01 -1.51 120.40 125.45 2wnl s VAL 202 Ca 0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2wnl s VAL 202 Cb -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2wnl s VAL 202 CO 0.01 0.48 -0.07 -0.54 0.00 0.00 0.00 175.10 174.98 2wnl s LYS 203 N 0.58 3.38 0.09 2.72 1.02 -0.01 -1.88 119.74 125.64 2wnl s LYS 203 Ca -0.15 -0.58 -0.19 0.00 0.02 0.00 0.00 55.97 55.08 2wnl s LYS 203 Cb -0.17 -2.75 0.04 0.00 -0.52 0.00 0.00 37.83 34.43 2wnl s LYS 203 CO 0.05 0.33 0.45 -0.59 -0.92 0.00 0.00 175.35 174.67 2wnl s PHE 204 N 0.10 -0.31 0.11 3.18 -0.12 -0.95 0.23 117.98 120.22 2wnl s PHE 204 Ca -0.03 0.15 -0.09 0.00 -0.05 0.00 0.00 56.93 56.92 2wnl s PHE 204 Cb -0.14 0.30 -0.00 0.00 -0.63 0.00 0.00 43.02 42.55 2wnl s PHE 204 CO 0.03 -0.67 0.21 -0.98 -0.05 0.00 0.00 175.22 173.76 2wnl s ARG 205 N -3.16 0.93 0.10 1.99 1.70 -0.93 -1.27 118.95 118.33 2wnl s ARG 205 Ca -0.01 -1.03 -0.31 0.00 -0.47 0.00 0.00 55.73 53.91 2wnl s ARG 205 Cb 0.00 0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 34.63 2wnl s ARG 205 CO -0.07 -0.31 1.87 0.39 -1.08 0.00 0.00 175.30 176.09 2wnl n GLU 206 N -0.10 2.80 -1.85 3.89 1.02 0.16 -1.21 120.64 125.34 2wnl n GLU 206 Ca -0.13 1.02 -0.41 0.00 -0.02 0.00 0.00 57.16 57.62 2wnl n GLU 206 Cb 0.63 -2.93 -0.01 0.00 -0.02 0.00 0.00 31.44 29.11 2wnl n GLU 206 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2wnl s ARG 207 N 3.07 4.15 0.30 3.49 3.52 -0.35 -4.78 118.95 128.35 2wnl s ARG 207 Ca 0.83 2.51 -0.06 0.00 -0.13 0.00 0.00 55.73 58.88 2wnl s ARG 207 Cb -0.48 -2.99 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 2wnl s ARG 207 CO 0.38 -0.49 0.46 1.03 -0.81 0.00 0.00 175.30 175.87 2wnl s ARG 208 N -1.81 1.74 0.00 5.12 0.52 -1.26 -4.98 118.95 118.29 2wnl s ARG 208 Ca 0.54 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2wnl s ARG 208 Cb -0.46 0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.46 2wnl s ARG 208 CO 0.59 -0.72 0.18 0.00 0.02 0.00 0.00 175.30 175.38