#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnl n LYS -1 N 0.00 0.54 0.22 -1.24 5.02 -1.26 -2.28 118.16 119.17 2wnl n LYS -1 Ca 0.00 0.36 0.18 0.00 -2.02 0.00 0.00 58.31 56.82 2wnl n LYS -1 Cb 0.00 -1.56 0.85 0.00 -0.02 0.00 0.00 35.03 34.30 2wnl n LYS -1 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2wnl h LEU 0 N -1.00 0.00 -0.33 -0.35 5.85 -2.04 0.36 115.31 117.80 2wnl h LEU 0 Ca -0.32 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.20 2wnl h LEU 0 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2wnl h LEU 0 CO -0.19 0.00 -0.72 -0.74 -0.34 0.00 0.00 178.44 176.44 2wnl h HIS 1 N 0.00 0.77 -0.08 1.25 2.76 -1.99 -0.17 115.15 117.69 2wnl h HIS 1 Ca 0.08 -0.33 -0.02 0.00 -2.20 0.00 0.00 60.37 57.91 2wnl h HIS 1 Cb 0.56 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 2wnl h HIS 1 CO 0.00 1.11 -0.01 0.66 -1.30 0.00 0.00 177.93 178.39 2wnl h SER 2 N 0.40 0.15 -0.67 3.26 4.64 -0.04 -1.05 113.55 120.24 2wnl h SER 2 Ca -0.03 -0.35 0.14 0.00 -0.47 0.00 0.00 61.79 61.08 2wnl h SER 2 Cb 1.31 -0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 63.26 2wnl h SER 2 CO 0.14 0.46 0.10 1.56 -0.87 0.00 0.00 176.83 178.22 2wnl h GLN 3 N -0.16 0.20 0.07 4.77 4.20 -0.61 -1.48 115.11 122.10 2wnl h GLN 3 Ca 0.02 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2wnl h GLN 3 Cb 0.39 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2wnl h GLN 3 CO 0.01 0.13 -0.03 0.00 -0.67 0.00 0.00 178.83 178.27 2wnl h ALA 4 N 1.57 -0.09 -1.00 3.87 0.00 -0.86 0.42 119.26 123.16 2wnl h ALA 4 Ca 0.36 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2wnl h ALA 4 Cb 0.60 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2wnl h ALA 4 CO -0.50 -0.46 0.64 -0.91 0.00 0.00 0.00 179.25 178.01 2wnl h ASN 5 N -0.28 0.97 -0.11 0.00 2.35 -0.98 0.16 115.58 117.69 2wnl h ASN 5 Ca -0.01 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 2wnl h ASN 5 Cb 0.24 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2wnl h ASN 5 CO 0.02 0.57 -0.29 0.25 -1.65 0.00 0.00 177.43 176.32 2wnl h LEU 6 N 1.07 0.45 -1.31 1.61 5.85 -0.89 -1.23 115.31 120.86 2wnl h LEU 6 Ca 0.47 -0.59 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2wnl h LEU 6 Cb 0.35 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2wnl h LEU 6 CO -0.22 0.95 0.04 0.24 -0.34 0.00 0.00 178.44 179.12 2wnl h MET 7 N -0.04 0.51 -0.42 1.25 2.86 0.14 -1.63 114.93 117.60 2wnl h MET 7 Ca -0.00 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.41 2wnl h MET 7 Cb 0.90 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 2wnl h MET 7 CO 0.06 0.50 -0.27 -0.09 1.06 0.00 0.00 176.91 178.17 2wnl h ARG 8 N 0.50 0.89 -0.09 1.72 2.43 -0.65 -2.97 114.38 116.20 2wnl h ARG 8 Ca 0.11 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 2wnl h ARG 8 Cb 0.26 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2wnl h ARG 8 CO 0.00 1.05 0.02 1.25 -1.51 0.00 0.00 179.97 180.78 2wnl h LEU 9 N 0.76 0.14 -1.53 3.80 5.85 -0.58 -2.16 115.31 121.58 2wnl h LEU 9 Ca 0.09 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.63 2wnl h LEU 9 Cb 0.83 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 2wnl h LEU 9 CO 0.07 0.34 0.40 0.11 -0.34 0.00 0.00 178.44 179.02 2wnl h LYS 10 N -0.07 0.55 0.35 1.25 1.57 -1.38 -1.78 116.57 117.07 2wnl h LYS 10 Ca 0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2wnl h LYS 10 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2wnl h LYS 10 CO 0.00 0.37 -0.17 0.77 -0.57 0.00 0.00 179.45 179.85 2wnl h SER 11 N 0.57 -0.40 -0.72 0.86 0.02 -1.34 -0.08 113.55 112.47 2wnl h SER 11 Ca 0.26 -0.12 0.16 0.00 -0.84 0.00 0.00 61.79 61.24 2wnl h SER 11 Cb 0.30 0.10 -0.11 0.00 0.14 0.00 0.00 62.40 62.83 2wnl h SER 11 CO -0.08 -0.09 0.11 0.44 -1.14 0.00 0.00 176.83 176.07 2wnl h ASP 12 N -0.72 -0.11 -0.01 3.07 5.19 -0.96 -2.15 116.42 120.73 2wnl h ASP 12 Ca -0.05 0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.46 2wnl h ASP 12 Cb 0.50 0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.25 2wnl h ASP 12 CO 0.08 -0.08 -0.24 -0.07 -3.12 0.00 0.00 179.24 175.81 2wnl h LEU 13 N 0.20 0.23 0.00 1.55 3.38 -1.31 -3.37 115.31 115.99 2wnl h LEU 13 Ca 0.40 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2wnl h LEU 13 Cb 0.68 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wnl h LEU 13 CO -0.54 0.95 -0.27 -0.26 0.09 0.00 0.00 178.44 178.41 2wnl h PHE 14 N -0.47 0.00 0.00 1.13 0.05 -0.80 -3.34 116.94 113.51 2wnl h PHE 14 Ca -0.03 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.76 2wnl h PHE 14 Cb 0.98 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.93 2wnl h PHE 14 CO 0.17 0.00 0.00 0.09 -0.18 0.00 0.00 178.31 178.39 2wnl n ASN 15 N -4.57 0.00 0.00 2.17 5.03 -0.83 -3.45 115.26 113.61 2wnl n ASN 15 Ca -0.04 -1.82 0.00 0.00 0.87 0.00 0.00 54.58 53.60 2wnl n ASN 15 Cb 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.90 2wnl n ASN 15 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2wnl n ARG 16 N -0.57 1.50 -0.03 3.52 0.63 -1.24 -5.05 116.66 115.41 2wnl n ARG 16 Ca 0.03 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2wnl n ARG 16 Cb 0.02 -0.52 0.00 0.00 0.45 0.00 0.00 32.46 32.40 2wnl n ARG 16 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2wnl n SER 17 N -0.25 0.00 -3.94 6.15 2.88 -1.22 -5.06 113.62 112.17 2wnl n SER 17 Ca 0.00 -0.03 -0.24 0.00 -1.33 0.00 0.00 58.87 57.27 2wnl n SER 17 Cb 0.06 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.36 2wnl n SER 17 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2wnl s TYR 20 N -3.01 1.19 -0.88 0.66 6.04 -1.26 -5.04 117.35 115.04 2wnl s TYR 20 Ca 0.00 -0.46 0.26 0.00 0.04 0.00 0.00 57.07 56.92 2wnl s TYR 20 Cb 0.00 -0.96 0.75 0.00 -1.04 0.00 0.00 41.96 40.70 2wnl s TYR 20 CO 0.00 -0.31 1.61 -0.35 -1.54 0.00 0.00 175.55 174.96 2wnl n PRO 21 N 4.24 0.10 0.00 4.97 -0.05 -1.26 -4.87 135.00 138.14 2wnl n PRO 21 Ca -0.20 0.05 0.00 0.00 -0.05 0.00 0.00 63.50 63.30 2wnl n PRO 21 Cb 0.51 -1.58 0.00 0.00 -0.05 0.00 0.00 33.50 32.37 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 1.44 1.68 3.77 0.55 0.00 -1.26 -5.07 105.19 106.30 2wnl n GLY 22 Ca 0.06 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.77 2.24 0.19 1.61 0.04 -1.26 -5.06 135.00 130.99 2wnl s PRO 23 Ca 0.00 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.08 2wnl s PRO 23 Cb 0.00 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2wnl s PRO 23 CO 0.00 -1.62 0.10 0.95 0.04 0.00 0.00 177.00 176.47 2wnl s THR 24 N -2.95 0.17 0.50 1.26 -4.23 -1.02 -4.98 115.64 104.38 2wnl s THR 24 Ca 0.61 -1.98 0.18 0.00 -1.18 0.00 0.00 61.69 59.32 2wnl s THR 24 Cb -0.16 -2.38 0.32 0.00 1.34 0.00 0.00 72.50 71.62 2wnl s THR 24 CO 0.56 -0.15 2.06 0.11 -0.54 0.00 0.00 174.62 176.66 2wnl h LYS 25 N 2.65 0.10 0.00 3.99 1.57 -1.91 -0.68 116.57 122.29 2wnl h LYS 25 Ca -0.36 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.22 2wnl h LYS 25 Cb 1.23 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 2wnl h LYS 25 CO 0.57 0.07 -1.29 -0.44 -0.57 0.00 0.00 179.45 177.78 2wnl h ASP 26 N 0.10 0.00 -2.19 0.86 3.45 -1.96 -3.39 116.42 113.29 2wnl h ASP 26 Ca 0.14 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 57.02 2wnl h ASP 26 Cb 0.44 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 38.80 2wnl h ASP 26 CO -0.02 0.71 -0.84 -0.67 -1.57 0.00 0.00 179.24 176.86 2wnl n ASP 27 N -3.03 1.83 -4.71 6.45 2.03 -0.89 -5.12 116.55 113.11 2wnl n ASP 27 Ca -0.08 -3.02 -0.30 0.00 0.52 0.00 0.00 54.79 51.90 2wnl n ASP 27 Cb 0.89 -0.65 0.14 0.00 -0.72 0.00 0.00 41.12 40.77 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 -1.65 1.39 -0.02 -0.67 0.04 -0.31 -2.45 135.00 131.33 2wnl s PRO 28 Ca 0.36 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.61 2wnl s PRO 28 Cb 0.14 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.88 2wnl s PRO 28 CO -0.08 -2.25 -0.10 -1.17 0.04 0.00 0.00 177.00 173.44 2wnl s LEU 29 N -6.31 1.84 -0.26 -3.56 2.96 -0.34 -4.91 118.68 108.10 2wnl s LEU 29 Ca 0.64 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.27 2wnl s LEU 29 Cb -0.20 -0.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.88 2wnl s LEU 29 CO 0.57 0.09 0.09 -0.89 -1.32 0.00 0.00 176.35 174.90 2wnl s THR 30 N 0.09 4.42 -0.19 3.68 2.01 -1.26 -0.84 115.64 123.55 2wnl s THR 30 Ca -0.02 -0.22 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 2wnl s THR 30 Cb -0.08 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2wnl s THR 30 CO 0.00 0.27 0.04 -0.69 -0.69 0.00 0.00 174.62 173.56 2wnl s VAL 31 N 1.62 4.54 -0.16 3.82 1.01 0.31 -4.59 120.40 126.95 2wnl s VAL 31 Ca 0.06 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 2wnl s VAL 31 Cb -0.16 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 2wnl s VAL 31 CO 0.05 0.45 0.14 -0.89 0.00 0.00 0.00 175.10 174.85 2wnl s THR 32 N 0.54 5.45 0.20 3.92 2.01 -0.39 -1.49 115.64 125.88 2wnl s THR 32 Ca 0.02 0.21 0.11 0.00 0.31 0.00 0.00 61.69 62.34 2wnl s THR 32 Cb -0.13 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2wnl s THR 32 CO 0.01 0.53 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.50 2wnl s LEU 33 N -0.31 2.56 -0.08 4.42 1.43 0.43 -1.86 118.68 125.27 2wnl s LEU 33 Ca 0.12 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 52.10 2wnl s LEU 33 Cb -0.12 -1.26 0.07 0.00 0.03 0.00 0.00 46.19 44.91 2wnl s LEU 33 CO 0.01 0.11 0.65 -0.83 0.23 0.00 0.00 176.35 176.52 2wnl s GLY 34 N -2.80 -0.54 -0.05 -3.19 0.00 -0.97 -4.28 107.32 95.49 2wnl s GLY 34 Ca 0.23 1.35 0.06 0.00 0.00 0.00 0.00 44.72 46.36 2wnl s GLY 34 CO 0.12 1.02 -0.23 -1.36 0.00 0.00 0.00 173.10 172.65 2wnl s PHE 35 N -0.94 2.47 -0.35 1.90 0.08 -1.26 -0.82 117.98 119.06 2wnl s PHE 35 Ca -0.09 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.46 2wnl s PHE 35 Cb -0.01 -1.58 0.09 0.00 -0.57 0.00 0.00 43.02 40.95 2wnl s PHE 35 CO 0.08 -0.07 0.08 0.99 -0.10 0.00 0.00 175.22 176.20 2wnl s THR 36 N -0.41 2.74 -0.15 0.64 2.01 -0.35 -1.28 115.64 118.84 2wnl s THR 36 Ca 0.04 -2.01 -0.29 0.00 0.31 0.00 0.00 61.69 59.74 2wnl s THR 36 Cb -0.12 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 2wnl s THR 36 CO 0.01 -0.49 0.99 -0.22 -0.69 0.00 0.00 174.62 174.23 2wnl s LEU 37 N 1.07 4.19 -0.23 4.42 2.96 -1.01 -1.69 118.68 128.39 2wnl s LEU 37 Ca 0.05 1.44 0.03 0.00 -0.22 0.00 0.00 54.13 55.43 2wnl s LEU 37 Cb -0.21 -3.51 -0.19 0.00 0.50 0.00 0.00 46.19 42.78 2wnl s LEU 37 CO -0.05 -0.51 -0.08 0.00 -1.32 0.00 0.00 176.35 174.38 2wnl n GLN 38 N 5.44 0.67 -3.57 1.98 6.02 0.25 -3.56 117.38 124.61 2wnl n GLN 38 Ca 0.09 0.15 -0.17 0.00 -0.01 0.00 0.00 57.00 57.06 2wnl n GLN 38 Cb 0.48 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 30.12 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 -6.47 -0.60 -0.36 1.08 2.15 -0.72 0.03 116.67 111.78 2wnl s ASP 39 Ca -0.30 0.72 -0.08 0.00 0.43 0.00 0.00 52.55 53.32 2wnl s ASP 39 Cb 0.08 0.62 0.04 0.00 -0.30 0.00 0.00 42.92 43.36 2wnl s ASP 39 CO 0.66 -0.54 0.16 -0.63 -0.17 0.00 0.00 175.17 174.65 2wnl s ILE 40 N -1.01 4.08 0.02 4.11 1.01 -1.26 -1.15 121.20 127.00 2wnl s ILE 40 Ca -0.10 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.45 2wnl s ILE 40 Cb -0.01 -3.34 -0.26 0.00 0.01 0.00 0.00 42.46 38.86 2wnl s ILE 40 CO 0.08 -0.26 0.91 0.58 0.00 0.00 0.00 174.94 176.26 2wnl h VAL 41 N 6.08 1.22 -2.11 2.92 2.07 -1.39 -3.41 116.25 121.63 2wnl h VAL 41 Ca -0.24 -2.91 -0.06 0.00 0.82 0.00 0.00 66.70 64.32 2wnl h VAL 41 Cb 1.09 2.72 -0.21 0.00 -1.52 0.00 0.00 31.29 33.37 2wnl h VAL 41 CO 0.65 0.80 0.09 -0.75 0.02 0.00 0.00 177.57 178.38 2wnl s LYS 42 N -2.63 0.84 -0.19 1.57 2.20 -1.22 -4.94 119.74 115.37 2wnl s LYS 42 Ca -0.06 0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 56.28 2wnl s LYS 42 Cb 0.08 0.41 0.06 0.00 -1.51 0.00 0.00 37.83 36.86 2wnl s LYS 42 CO 0.84 -0.15 0.03 0.00 -0.36 0.00 0.00 175.35 175.71 2wnl s ALA 43 N -0.02 1.05 -0.44 3.13 0.00 -1.26 -0.33 121.76 123.88 2wnl s ALA 43 Ca -0.03 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 2wnl s ALA 43 Cb -0.04 -1.17 0.06 0.00 0.00 0.00 0.00 23.12 21.97 2wnl s ALA 43 CO 0.03 -1.13 0.34 0.34 0.00 0.00 0.00 175.76 175.34 2wnl s ASP 44 N 1.84 6.05 0.00 0.00 -1.08 0.62 -4.93 116.67 119.17 2wnl s ASP 44 Ca -0.01 -1.20 0.30 0.00 -0.52 0.00 0.00 52.55 51.12 2wnl s ASP 44 Cb -0.17 -2.14 1.43 0.00 -1.46 0.00 0.00 42.92 40.58 2wnl s ASP 44 CO -0.08 -0.56 1.99 -1.54 0.52 0.00 0.00 175.17 175.50 2wnl n SER 45 N 5.14 0.22 0.05 -0.34 3.41 -1.26 0.26 113.62 121.10 2wnl n SER 45 Ca -0.12 -0.45 -0.02 0.00 -0.26 0.00 0.00 58.87 58.02 2wnl n SER 45 Cb 0.45 -0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.28 0.00 0.00 4.04 4.64 -1.97 -3.39 113.55 117.15 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 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2wnl h SER 46 CO 0.00 0.71 0.00 0.35 -0.87 0.00 0.00 176.83 177.02 2wnl n THR 47 N -3.06 0.00 -3.43 2.95 -2.24 -1.19 -5.05 114.28 102.27 2wnl n THR 47 Ca -0.07 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 60.99 2wnl n THR 47 Cb 0.88 1.00 0.06 0.00 -2.10 0.00 0.00 70.33 70.16 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 -0.80 -6.13 -4.06 3.42 4.13 0.14 -4.95 115.26 107.02 2wnl n ASN 48 Ca 0.00 -0.82 -0.23 0.00 1.68 0.00 0.00 54.58 55.20 2wnl n ASN 48 Cb 0.00 -4.43 -0.16 0.00 -1.54 0.00 0.00 39.78 33.65 2wnl n ASN 48 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2wnl s GLU 49 N -5.02 1.41 0.06 3.52 2.02 -1.01 -2.13 118.70 117.55 2wnl s GLU 49 Ca 0.45 -0.44 0.08 0.00 0.02 0.00 0.00 54.97 55.09 2wnl s GLU 49 Cb -0.10 -1.24 -0.03 0.00 0.10 0.00 0.00 34.13 32.85 2wnl s GLU 49 CO 0.79 0.15 -0.22 0.08 0.02 0.00 0.00 175.26 176.08 2wnl s VAL 50 N 0.23 2.52 -0.25 2.63 1.01 -0.66 -0.28 120.40 125.62 2wnl s VAL 50 Ca -0.06 -1.35 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 2wnl s VAL 50 Cb -0.11 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.22 2wnl s VAL 50 CO 0.02 0.29 -0.02 -1.81 0.00 0.00 0.00 175.10 173.58 2wnl s ASP 51 N -1.52 4.47 0.07 3.32 1.11 0.55 -1.61 116.67 123.05 2wnl s ASP 51 Ca 0.14 -0.62 0.03 0.00 0.18 0.00 0.00 52.55 52.28 2wnl s ASP 51 Cb -0.10 -1.74 -0.04 0.00 1.07 0.00 0.00 42.92 42.11 2wnl s ASP 51 CO 0.05 -0.09 0.05 -0.76 1.18 0.00 0.00 175.17 175.60 2wnl s LEU 52 N 1.43 3.70 -0.11 1.23 1.43 -0.31 -0.92 118.68 125.14 2wnl s LEU 52 Ca 0.03 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2wnl s LEU 52 Cb -0.16 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.72 2wnl s LEU 52 CO -0.03 0.19 -0.20 -0.69 0.23 0.00 0.00 176.35 175.86 2wnl s VAL 53 N -1.32 1.80 0.17 -1.59 1.01 -0.30 -0.95 120.40 119.21 2wnl s VAL 53 Ca 0.27 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 2wnl s VAL 53 Cb -0.12 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.72 2wnl s VAL 53 CO 0.19 0.50 0.53 -0.72 0.00 0.00 0.00 175.10 175.61 2wnl s TYR 54 N 0.67 -0.30 0.12 5.22 -0.85 -0.97 -0.58 117.35 120.66 2wnl s TYR 54 Ca -0.12 0.01 0.05 0.00 -0.52 0.00 0.00 57.07 56.49 2wnl s TYR 54 Cb -0.16 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 2wnl s TYR 54 CO 0.03 -0.86 0.07 1.52 -1.52 0.00 0.00 175.55 174.79 2wnl s TYR 55 N -3.81 3.07 -0.22 -3.49 -0.85 -0.68 -0.75 117.35 110.62 2wnl s TYR 55 Ca 0.05 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.59 2wnl s TYR 55 Cb -0.01 -1.53 0.06 0.00 0.38 0.00 0.00 41.96 40.86 2wnl s TYR 55 CO -0.08 0.51 -0.06 -2.00 -1.52 0.00 0.00 175.55 172.40 2wnl s GLU 56 N -2.68 1.62 -0.04 -3.49 2.12 -0.78 -1.21 118.70 114.24 2wnl s GLU 56 Ca 0.29 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.42 2wnl s GLU 56 Cb -0.11 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 2wnl s GLU 56 CO 0.21 -0.56 1.04 -1.14 -0.54 0.00 0.00 175.26 174.27 2wnl s GLN 57 N 1.44 4.46 -0.07 4.30 0.74 -0.00 -3.43 119.66 127.10 2wnl s GLN 57 Ca -0.04 1.48 0.05 0.00 0.05 0.00 0.00 55.36 56.89 2wnl s GLN 57 Cb -0.18 -3.50 -0.00 0.00 1.10 0.00 0.00 33.01 30.43 2wnl s GLN 57 CO -0.07 -0.23 -0.22 -0.65 -0.55 0.00 0.00 175.29 173.57 2wnl s GLN 58 N 1.58 2.55 -0.04 1.67 -0.21 0.37 -2.30 119.66 123.28 2wnl s GLN 58 Ca 0.52 -0.80 -0.02 0.00 0.02 0.00 0.00 55.36 55.08 2wnl s GLN 58 Cb -0.21 -2.05 0.03 0.00 1.00 0.00 0.00 33.01 31.78 2wnl s GLN 58 CO 0.23 0.24 0.10 -0.98 -2.12 0.00 0.00 175.29 172.76 2wnl s ARG 59 N 0.16 0.07 0.27 2.91 1.04 -0.78 -1.52 118.95 121.10 2wnl s ARG 59 Ca -0.11 0.24 -0.10 0.00 -1.04 0.00 0.00 55.73 54.72 2wnl s ARG 59 Cb -0.15 -0.11 -0.00 0.00 -2.04 0.00 0.00 34.95 32.64 2wnl s ARG 59 CO 0.06 -0.11 0.46 1.67 -0.04 0.00 0.00 175.30 177.33 2wnl s TRP 60 N 0.73 0.58 -0.03 5.89 -2.14 -1.02 -1.26 118.94 121.68 2wnl s TRP 60 Ca -0.06 -0.91 -0.01 0.00 2.66 0.00 0.00 56.10 57.79 2wnl s TRP 60 Cb -0.08 0.09 0.03 0.00 -3.10 0.00 0.00 33.47 30.41 2wnl s TRP 60 CO -0.03 -1.01 0.06 0.21 -2.66 0.00 0.00 176.95 173.52 2wnl s LYS 61 N -3.76 -0.01 0.00 3.25 2.20 -1.26 0.38 119.74 120.54 2wnl s LYS 61 Ca 0.25 0.24 0.07 0.00 -0.36 0.00 0.00 55.97 56.18 2wnl s LYS 61 Cb -0.00 -0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.06 2wnl s LYS 61 CO 0.12 -0.17 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.19 2wnl s LEU 62 N 1.12 2.08 0.29 5.43 1.43 -0.45 -4.94 118.68 123.64 2wnl s LEU 62 Ca -0.09 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 2wnl s LEU 62 Cb -0.13 -1.18 0.45 0.00 0.03 0.00 0.00 46.19 45.37 2wnl s LEU 62 CO -0.04 0.26 1.76 0.78 0.23 0.00 0.00 176.35 179.35 2wnl h ASN 63 N 5.34 0.50 0.21 2.29 2.35 -1.90 -2.95 115.58 121.42 2wnl h ASN 63 Ca -0.42 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 2wnl h ASN 63 Cb 1.14 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2wnl h ASN 63 CO 0.46 0.70 0.00 -1.54 -1.65 0.00 0.00 177.43 175.40 2wnl n SER 64 N -4.16 0.00 -0.46 5.81 3.41 -1.26 -2.20 113.62 114.76 2wnl n SER 64 Ca 0.00 0.41 0.05 0.00 -0.26 0.00 0.00 58.87 59.06 2wnl n SER 64 Cb 0.36 -0.44 0.09 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.44 2.32 -4.79 1.04 4.77 -1.11 -4.95 117.00 112.84 2wnl n LEU 65 Ca 0.02 -1.55 -0.34 0.00 -0.03 0.00 0.00 56.01 54.11 2wnl n LEU 65 Cb 0.07 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2wnl n LEU 65 CO 0.06 0.54 0.74 -0.04 -1.33 0.00 0.00 177.39 177.35 2wnl s MET 66 N -0.90 3.61 -0.03 3.23 -1.94 -0.93 -4.00 119.30 118.35 2wnl s MET 66 Ca 0.15 1.42 -0.29 0.00 -1.71 0.00 0.00 55.69 55.27 2wnl s MET 66 Cb 0.09 -2.06 0.08 0.00 2.01 0.00 0.00 34.83 34.95 2wnl s MET 66 CO 0.12 -0.60 0.73 1.67 -0.01 0.00 0.00 175.02 176.93 2wnl s TRP 67 N -1.96 -0.58 -0.24 -0.03 -2.14 -0.58 -4.96 118.94 108.45 2wnl s TRP 67 Ca 0.69 0.86 -0.21 0.00 2.66 0.00 0.00 56.10 60.10 2wnl s TRP 67 Cb -0.19 0.45 -0.02 0.00 -3.10 0.00 0.00 33.47 30.61 2wnl s TRP 67 CO 0.24 -0.61 0.65 0.34 -2.66 0.00 0.00 176.95 174.91 2wnl s ASP 68 N -1.52 6.63 0.33 -2.66 3.68 -1.26 -4.68 116.67 117.19 2wnl s ASP 68 Ca -0.07 0.77 0.02 0.00 2.13 0.00 0.00 52.55 55.40 2wnl s ASP 68 Cb -0.00 -2.35 0.59 0.00 -1.45 0.00 0.00 42.92 39.71 2wnl s ASP 68 CO 0.04 -0.36 1.97 -0.65 0.13 0.00 0.00 175.17 176.29 2wnl h PRO 69 N 7.78 0.91 -1.05 4.34 0.11 -1.93 -2.17 132.00 139.99 2wnl h PRO 69 Ca -0.27 -0.05 0.33 0.00 0.11 0.00 0.00 66.00 66.11 2wnl h PRO 69 Cb 1.12 -0.20 -0.14 0.00 0.11 0.00 0.00 31.00 31.89 2wnl h PRO 69 CO 0.78 0.60 0.62 -0.91 -0.21 0.00 0.00 178.00 178.88 2wnl h ASN 70 N 0.94 0.48 -0.00 -2.05 4.21 -1.93 0.93 115.58 118.15 2wnl h ASN 70 Ca 0.30 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.99 2wnl h ASN 70 Cb 0.04 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.37 2wnl h ASN 70 CO -0.09 -0.12 0.00 -0.62 -1.29 0.00 0.00 177.43 175.31 2wnl n GLU 71 N -4.96 1.02 -2.68 0.81 1.02 -0.82 -4.25 120.64 110.78 2wnl n GLU 71 Ca 0.32 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.35 2wnl n GLU 71 Cb 1.03 -1.28 0.07 0.00 -0.02 0.00 0.00 31.44 31.25 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 -0.76 -0.66 -2.22 -0.32 4.01 0.31 -5.00 117.16 112.53 2wnl n TYR 72 Ca 0.13 -2.36 -0.18 0.00 -0.16 0.00 0.00 57.90 55.34 2wnl n TYR 72 Cb 0.07 0.61 -0.02 0.00 -0.31 0.00 0.00 39.34 39.68 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 -0.33 -0.01 3.42 2.72 0.00 -1.13 -1.99 105.19 107.87 2wnl n GLY 73 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.74 -6.07 -4.70 1.61 5.15 -0.38 -4.98 115.26 104.14 2wnl n ASN 74 Ca -0.21 -0.49 -0.40 0.00 -0.60 0.00 0.00 54.58 52.88 2wnl n ASN 74 Cb 0.65 -4.70 -0.05 0.00 -0.53 0.00 0.00 39.78 35.15 2wnl n ASN 74 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2wnl s ILE 75 N -3.29 5.00 -0.15 -1.44 1.01 -0.84 -4.93 121.20 116.56 2wnl s ILE 75 Ca 0.53 1.48 0.09 0.00 0.00 0.00 0.00 60.65 62.76 2wnl s ILE 75 Cb -0.24 -4.06 -0.13 0.00 0.01 0.00 0.00 42.46 38.04 2wnl s ILE 75 CO 0.66 0.19 0.26 0.35 0.00 0.00 0.00 174.94 176.40 2wnl n THR 76 N 4.06 0.00 -3.76 2.92 -2.24 -1.26 -4.29 114.28 109.71 2wnl n THR 76 Ca 0.00 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.48 2wnl n THR 76 Cb 0.51 0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.68 -0.26 0.18 3.42 1.47 -1.26 0.12 116.67 117.66 2wnl s ASP 77 Ca -0.01 -0.45 -0.16 0.00 1.18 0.00 0.00 52.55 53.11 2wnl s ASP 77 Cb 0.06 0.61 0.03 0.00 -0.34 0.00 0.00 42.92 43.28 2wnl s ASP 77 CO 0.38 -1.12 0.47 0.72 0.68 0.00 0.00 175.17 176.31 2wnl s PHE 78 N -3.63 -0.09 0.05 2.11 -0.12 -0.41 -5.00 117.98 110.89 2wnl s PHE 78 Ca 0.10 -0.25 -0.09 0.00 -0.05 0.00 0.00 56.93 56.64 2wnl s PHE 78 Cb -0.04 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.62 2wnl s PHE 78 CO 0.03 -0.85 0.36 1.03 -0.05 0.00 0.00 175.22 175.73 2wnl s ARG 79 N -3.87 3.70 0.06 1.99 3.00 -1.26 -1.51 118.95 121.07 2wnl s ARG 79 Ca 0.09 0.10 -0.15 0.00 0.00 0.00 0.00 55.73 55.76 2wnl s ARG 79 Cb 0.00 -3.03 0.03 0.00 0.00 0.00 0.00 34.95 31.95 2wnl s ARG 79 CO -0.04 0.59 0.35 -0.08 0.00 0.00 0.00 175.30 176.12 2wnl s THR 80 N -1.36 0.08 0.36 0.02 -1.32 -0.77 -4.98 115.64 107.67 2wnl s THR 80 Ca 0.31 -0.62 -0.28 0.00 -1.21 0.00 0.00 61.69 59.89 2wnl s THR 80 Cb -0.14 -1.01 -0.10 0.00 -1.51 0.00 0.00 72.50 69.74 2wnl s THR 80 CO 0.17 -0.34 1.37 -0.55 -2.21 0.00 0.00 174.62 173.06 2wnl s SER 81 N -2.22 6.54 0.58 8.08 0.15 -1.26 -0.87 113.70 124.69 2wnl s SER 81 Ca -0.03 2.82 0.31 0.00 0.70 0.00 0.00 55.95 59.75 2wnl s SER 81 Cb 0.00 -2.65 1.79 0.00 -1.71 0.00 0.00 66.02 63.44 2wnl s SER 81 CO -0.05 -0.71 2.22 0.00 1.20 0.00 0.00 173.24 175.89 2wnl h ALA 82 N 3.13 1.39 -0.11 5.45 0.00 -1.16 -1.64 119.26 126.32 2wnl h ALA 82 Ca -0.50 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 2wnl h ALA 82 Cb 1.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2wnl h ALA 82 CO 0.64 0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.77 2wnl h ALA 83 N 1.97 1.52 0.00 0.00 0.00 -1.90 -3.04 119.26 117.80 2wnl h ALA 83 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wnl h ALA 83 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wnl h ALA 83 CO 0.00 0.35 0.00 -0.25 0.00 0.00 0.00 179.25 179.35 2wnl n ASP 84 N -4.26 0.73 -4.53 0.00 8.00 -0.62 -4.83 116.55 111.04 2wnl n ASP 84 Ca -0.01 0.61 -0.25 0.00 0.71 0.00 0.00 54.79 55.85 2wnl n ASP 84 Cb 0.28 -0.79 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 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 -3.19 1.58 0.22 0.53 -4.36 -1.15 -5.06 121.20 109.78 2wnl s ILE 85 Ca 0.08 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.17 2wnl s ILE 85 Cb 0.11 -2.89 -0.09 0.00 1.25 0.00 0.00 42.46 40.84 2wnl s ILE 85 CO 0.51 0.00 1.04 0.86 0.24 0.00 0.00 174.94 177.59 2wnl s TRP 86 N -3.01 3.73 0.02 1.37 -0.00 -1.26 -4.95 118.94 114.83 2wnl s TRP 86 Ca 0.36 1.75 0.03 0.00 -0.00 0.00 0.00 56.10 58.23 2wnl s TRP 86 Cb 0.09 -3.17 -0.01 0.00 -0.00 0.00 0.00 33.47 30.38 2wnl s TRP 86 CO 0.17 -0.19 -0.09 0.95 -0.00 0.00 0.00 176.95 177.79 2wnl s THR 87 N -0.81 0.66 0.75 5.86 -4.23 -1.26 -5.11 115.64 111.50 2wnl s THR 87 Ca 0.45 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 60.19 2wnl s THR 87 Cb -0.29 -0.61 0.05 0.00 1.34 0.00 0.00 72.50 73.00 2wnl s THR 87 CO 0.36 -0.01 1.16 -2.16 -0.54 0.00 0.00 174.62 173.43 2wnl s PRO 88 N -0.71 2.10 -0.90 3.99 0.04 -1.26 -4.93 135.00 133.33 2wnl s PRO 88 Ca -0.01 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 2wnl s PRO 88 Cb -0.06 -1.85 0.34 0.00 0.04 0.00 0.00 34.50 32.98 2wnl s PRO 88 CO 0.00 -1.83 1.93 -0.40 0.04 0.00 0.00 177.00 176.74 2wnl n ASP 89 N -3.03 7.37 -4.67 6.66 5.75 -1.26 -4.99 116.55 122.38 2wnl n ASP 89 Ca 0.12 -3.78 -0.42 0.00 -0.01 0.00 0.00 54.79 50.69 2wnl n ASP 89 Cb 0.51 -1.08 -0.03 0.00 -1.03 0.00 0.00 41.12 39.50 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 -4.84 4.04 0.03 2.12 -1.09 -1.26 -2.72 121.20 117.48 2wnl s ILE 90 Ca 0.47 1.33 0.05 0.00 -2.23 0.00 0.00 60.65 60.27 2wnl s ILE 90 Cb 0.35 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2wnl s ILE 90 CO -0.31 -0.06 -0.15 -0.89 -1.23 0.00 0.00 174.94 172.30 2wnl s THR 91 N 2.97 1.18 0.17 2.92 2.01 0.59 -4.88 115.64 120.60 2wnl s THR 91 Ca 0.60 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 61.32 2wnl s THR 91 Cb -0.26 -1.05 -0.09 0.00 0.01 0.00 0.00 72.50 71.10 2wnl s THR 91 CO 0.21 0.07 1.39 0.00 -0.69 0.00 0.00 174.62 175.60 2wnl s ALA 92 N -0.78 3.60 -0.78 7.40 0.00 -1.26 -1.74 121.76 128.20 2wnl s ALA 92 Ca 0.03 1.18 0.26 0.00 0.00 0.00 0.00 51.96 53.42 2wnl s ALA 92 Cb -0.08 -3.53 0.63 0.00 0.00 0.00 0.00 23.12 20.14 2wnl s ALA 92 CO 0.01 -0.63 1.55 0.66 0.00 0.00 0.00 175.76 177.35 2wnl n TYR 93 N 3.21 0.48 -2.42 0.00 4.01 -0.03 -4.14 117.16 118.27 2wnl n TYR 93 Ca 0.09 0.14 -0.02 0.00 -0.16 0.00 0.00 57.90 57.95 2wnl n TYR 93 Cb 0.42 -0.64 0.06 0.00 -0.31 0.00 0.00 39.34 38.86 2wnl n TYR 93 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2wnl n SER 94 N -1.96 2.00 -4.72 7.72 3.41 -1.26 -5.00 113.62 113.80 2wnl n SER 94 Ca 0.05 -2.58 -0.33 0.00 -0.26 0.00 0.00 58.87 55.75 2wnl n SER 94 Cb 0.40 -0.41 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 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 -3.14 4.05 0.00 4.04 1.04 -1.26 -1.67 113.70 116.76 2wnl s SER 95 Ca 0.35 2.25 0.04 0.00 0.48 0.00 0.00 55.95 59.07 2wnl s SER 95 Cb 0.36 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 2wnl s SER 95 CO -0.07 -2.35 0.19 0.35 0.98 0.00 0.00 173.24 172.34 2wnl n THR 96 N -3.05 0.00 -4.03 2.02 -2.24 0.26 -4.77 114.28 102.47 2wnl n THR 96 Ca 0.12 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.40 2wnl n THR 96 Cb 0.51 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.25 0.78 0.41 -0.78 0.52 -1.24 -5.05 118.95 112.33 2wnl s ARG 97 Ca 0.02 -1.19 -0.26 0.00 -0.52 0.00 0.00 55.73 53.78 2wnl s ARG 97 Cb 0.03 0.26 -0.09 0.00 0.52 0.00 0.00 34.95 35.68 2wnl s ARG 97 CO 0.14 -0.20 1.30 -2.14 0.02 0.00 0.00 175.30 174.42 2wnl s PRO 98 N -3.93 3.95 0.13 3.54 0.02 -1.26 -4.70 135.00 132.76 2wnl s PRO 98 Ca 0.11 2.16 -0.31 0.00 0.02 0.00 0.00 61.00 62.97 2wnl s PRO 98 Cb 0.07 -2.75 -0.09 0.00 0.02 0.00 0.00 34.50 31.75 2wnl s PRO 98 CO -0.07 -0.50 1.45 0.08 -0.33 0.00 0.00 177.00 177.62 2wnl s VAL 99 N -1.26 3.07 -0.23 3.83 1.01 -1.26 -4.86 120.40 120.70 2wnl s VAL 99 Ca 0.57 0.77 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 2wnl s VAL 99 Cb -0.38 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2wnl s VAL 99 CO 0.49 0.06 0.38 -1.10 0.00 0.00 0.00 175.10 174.93 2wnl s GLN 100 N 1.08 4.11 -0.19 2.72 -0.21 -0.82 -4.95 119.66 121.42 2wnl s GLN 100 Ca 0.66 0.13 -0.22 0.00 0.02 0.00 0.00 55.36 55.95 2wnl s GLN 100 Cb -0.39 -3.58 -0.02 0.00 1.00 0.00 0.00 33.01 30.02 2wnl s GLN 100 CO 0.31 -0.12 0.70 0.08 -2.12 0.00 0.00 175.29 174.13 2wnl s VAL 101 N 1.58 4.98 -2.01 1.09 1.01 -1.26 -0.34 120.40 125.45 2wnl s VAL 101 Ca 0.17 1.34 0.20 0.00 0.00 0.00 0.00 61.98 63.69 2wnl s VAL 101 Cb -0.15 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.26 2wnl s VAL 101 CO 0.08 0.09 1.03 0.18 0.00 0.00 0.00 175.10 176.48 2wnl n LEU 102 N 5.08 2.09 -4.21 3.92 4.77 0.42 -4.98 117.00 124.08 2wnl n LEU 102 Ca 0.01 -0.82 -0.14 0.00 -0.03 0.00 0.00 56.01 55.03 2wnl n LEU 102 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2wnl n LEU 102 CO 0.45 0.38 -0.41 -0.94 -1.33 0.00 0.00 177.39 175.55 2wnl s SER 103 N -2.11 1.59 0.44 -1.43 1.04 -1.24 -4.91 113.70 107.06 2wnl s SER 103 Ca 0.18 -0.95 -0.26 0.00 0.48 0.00 0.00 55.95 55.41 2wnl s SER 103 Cb 0.16 0.01 -0.09 0.00 0.10 0.00 0.00 66.02 66.21 2wnl s SER 103 CO 0.44 -0.33 1.41 -2.65 0.98 0.00 0.00 173.24 173.09 2wnl n PRO 104 N 0.06 2.24 -2.69 4.02 -0.02 -1.26 -4.84 135.00 132.51 2wnl n PRO 104 Ca -0.12 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.72 2wnl n PRO 104 Cb 0.60 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 -0.09 3.71 -4.44 -0.52 1.13 -1.26 -4.90 117.38 111.02 2wnl n GLN 105 Ca 0.05 -3.87 -0.20 0.00 -1.94 0.00 0.00 57.00 51.04 2wnl n GLN 105 Cb 0.41 -2.85 -0.14 0.00 0.11 0.00 0.00 30.24 27.77 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 -0.04 0.95 0.41 5.09 1.01 -1.26 -0.58 121.20 126.77 2wnl s ILE 106 Ca 0.38 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.43 2wnl s ILE 106 Cb 0.04 -0.82 -0.08 0.00 0.01 0.00 0.00 42.46 41.61 2wnl s ILE 106 CO 0.02 0.15 0.01 0.00 0.00 0.00 0.00 174.94 175.12 2wnl s ALA 107 N -0.49 3.13 -0.17 9.38 0.00 -0.05 -4.60 121.76 128.96 2wnl s ALA 107 Ca 0.03 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 49.73 2wnl s ALA 107 Cb -0.06 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.28 2wnl s ALA 107 CO 0.00 -0.13 -0.17 0.08 0.00 0.00 0.00 175.76 175.54 2wnl s VAL 108 N -2.75 2.35 -0.17 0.00 1.01 -0.59 -1.85 120.40 118.41 2wnl s VAL 108 Ca 0.35 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 2wnl s VAL 108 Cb 0.10 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2wnl s VAL 108 CO 0.18 0.52 0.02 -0.69 0.00 0.00 0.00 175.10 175.13 2wnl s VAL 109 N 1.15 4.42 0.24 2.92 1.01 -0.57 -0.65 120.40 128.93 2wnl s VAL 109 Ca 0.01 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.90 2wnl s VAL 109 Cb -0.14 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2wnl s VAL 109 CO -0.07 0.48 0.14 -0.89 0.00 0.00 0.00 175.10 174.76 2wnl s THR 110 N 0.28 4.21 0.58 3.92 2.01 -0.49 -1.29 115.64 124.86 2wnl s THR 110 Ca 0.01 -1.48 0.37 0.00 0.31 0.00 0.00 61.69 60.90 2wnl s THR 110 Cb -0.13 -3.25 0.40 0.00 0.01 0.00 0.00 72.50 69.53 2wnl s THR 110 CO 0.01 -0.32 2.28 1.12 -0.69 0.00 0.00 174.62 177.03 2wnl h HIS 111 N 1.72 0.00 0.00 4.92 2.07 -0.63 -0.57 115.15 122.66 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 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2wnl h HIS 111 CO 0.59 0.01 0.00 -0.40 -3.07 0.00 0.00 177.93 175.06 2wnl n ASP 112 N -3.40 0.00 0.00 3.10 5.75 -1.26 -1.53 116.55 119.21 2wnl n ASP 112 Ca -0.03 -0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.58 2wnl n ASP 112 Cb 0.10 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 2wnl n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wnl n GLY 113 N 1.22 0.48 3.79 6.12 0.00 -0.22 -4.64 105.19 111.94 2wnl n GLY 113 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.88 6.07 -0.03 1.61 1.04 -1.25 -1.34 113.70 116.92 2wnl s SER 114 Ca 0.00 2.02 0.03 0.00 0.48 0.00 0.00 55.95 58.48 2wnl s SER 114 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2wnl s SER 114 CO 0.00 -0.97 -0.11 -0.69 0.98 0.00 0.00 173.24 172.45 2wnl s VAL 115 N -1.92 0.97 -0.14 5.02 1.01 0.16 -1.39 120.40 124.12 2wnl s VAL 115 Ca 0.69 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.21 2wnl s VAL 115 Cb -0.19 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.36 2wnl s VAL 115 CO 0.23 0.30 -0.08 -0.32 0.00 0.00 0.00 175.10 175.23 2wnl s MET 116 N 0.17 1.62 -0.11 2.72 0.00 0.18 -2.44 119.30 121.43 2wnl s MET 116 Ca -0.04 -0.41 0.02 0.00 0.00 0.00 0.00 55.69 55.27 2wnl s MET 116 Cb -0.10 -1.83 0.01 0.00 0.00 0.00 0.00 34.83 32.92 2wnl s MET 116 CO 0.01 -0.33 -0.16 0.12 0.00 0.00 0.00 175.02 174.66 2wnl s PHE 117 N 1.64 2.11 -0.55 4.11 5.36 -0.57 -1.54 117.98 128.54 2wnl s PHE 117 Ca 0.03 -1.01 0.04 0.00 -0.96 0.00 0.00 56.93 55.03 2wnl s PHE 117 Cb -0.14 -1.50 0.16 0.00 -0.34 0.00 0.00 43.02 41.21 2wnl s PHE 117 CO -0.08 -0.50 0.39 0.42 -1.46 0.00 0.00 175.22 173.99 2wnl s ILE 118 N 0.96 1.64 0.06 3.12 1.01 -1.26 -0.48 121.20 126.24 2wnl s ILE 118 Ca -0.07 -3.37 -0.30 0.00 0.00 0.00 0.00 60.65 56.91 2wnl s ILE 118 Cb -0.15 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 2wnl s ILE 118 CO -0.02 -1.08 0.98 -2.16 0.00 0.00 0.00 174.94 172.66 2wnl s PRO 119 N -0.58 4.62 0.03 2.79 0.04 -1.22 -4.75 135.00 135.93 2wnl s PRO 119 Ca 0.27 1.45 -0.26 0.00 0.04 0.00 0.00 61.00 62.51 2wnl s PRO 119 Cb -0.04 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 2wnl s PRO 119 CO -0.16 0.07 0.81 0.00 0.04 0.00 0.00 177.00 177.77 2wnl s ALA 120 N 0.49 3.32 0.04 8.56 0.00 -1.26 -1.86 121.76 131.05 2wnl s ALA 120 Ca 0.50 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2wnl s ALA 120 Cb -0.23 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 2wnl s ALA 120 CO 0.29 -0.01 -0.08 -0.65 0.00 0.00 0.00 175.76 175.31 2wnl s GLN 121 N 0.24 0.52 -0.24 0.00 -0.21 0.07 -0.43 119.66 119.61 2wnl s GLN 121 Ca 0.41 -0.69 -0.08 0.00 0.02 0.00 0.00 55.36 55.02 2wnl s GLN 121 Cb -0.20 -0.31 -0.03 0.00 1.00 0.00 0.00 33.01 33.46 2wnl s GLN 121 CO 0.24 0.06 0.08 0.50 -2.12 0.00 0.00 175.29 174.05 2wnl s ARG 122 N -1.42 3.77 -0.06 2.91 3.52 0.54 -2.29 118.95 125.92 2wnl s ARG 122 Ca -0.09 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.12 2wnl s ARG 122 Cb -0.09 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2wnl s ARG 122 CO 0.00 -0.07 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.10 2wnl s LEU 123 N 1.31 2.65 -0.18 -0.88 2.96 -0.12 -1.94 118.68 122.48 2wnl s LEU 123 Ca 0.05 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2wnl s LEU 123 Cb -0.15 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 2wnl s LEU 123 CO 0.04 0.31 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.90 2wnl s SER 124 N -0.50 4.67 0.18 3.68 0.01 -1.26 -1.16 113.70 119.33 2wnl s SER 124 Ca 0.06 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 2wnl s SER 124 Cb -0.12 -1.77 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 2wnl s SER 124 CO 0.02 0.11 0.17 0.72 0.41 0.00 0.00 173.24 174.66 2wnl s PHE 125 N 0.71 0.92 -0.19 2.43 -0.12 -0.63 -0.57 117.98 120.53 2wnl s PHE 125 Ca -0.02 -1.21 -0.29 0.00 -0.05 0.00 0.00 56.93 55.36 2wnl s PHE 125 Cb -0.14 -0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 41.82 2wnl s PHE 125 CO 0.02 -0.66 1.43 -1.64 -0.05 0.00 0.00 175.22 174.32 2wnl s MET 126 N -4.10 4.05 -0.24 1.99 -1.94 -0.67 -1.65 119.30 116.74 2wnl s MET 126 Ca 0.31 1.67 -0.13 0.00 -1.71 0.00 0.00 55.69 55.84 2wnl s MET 126 Cb 0.06 -3.90 0.08 0.00 2.01 0.00 0.00 34.83 33.08 2wnl s MET 126 CO 0.08 -0.96 0.58 0.00 -0.01 0.00 0.00 175.02 174.71 2wnl s ASP 128 N 1.69 6.19 0.00 0.00 -1.08 -1.26 -3.47 116.67 118.74 2wnl s ASP 128 Ca -0.09 -1.42 0.00 0.00 -0.52 0.00 0.00 52.55 50.52 2wnl s ASP 128 Cb -0.07 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2wnl s ASP 128 CO -0.17 -1.04 0.66 -0.81 0.52 0.00 0.00 175.17 174.32 2wnl n PRO 129 N 6.14 0.91 -1.72 4.34 -0.04 -1.26 -4.66 135.00 138.72 2wnl n PRO 129 Ca -0.10 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 2wnl n PRO 129 Cb 0.42 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.26 0.53 -0.18 0.52 -1.04 -1.26 -2.09 114.28 111.02 2wnl n THR 130 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2wnl n THR 130 Cb 0.33 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 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 2.97 0.85 0.24 3.41 0.00 -1.26 -4.28 105.19 107.12 2wnl n GLY 131 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 0.67 -0.30 1.61 3.04 -1.60 -0.12 116.25 119.55 2wnl h VAL 132 Ca 0.00 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 2wnl h VAL 132 Cb 0.00 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2wnl h VAL 132 CO 0.00 0.17 0.00 -0.90 -1.01 0.00 0.00 177.57 175.83 2wnl n ASP 133 N -3.68 1.77 -4.92 3.17 5.75 -1.26 0.98 116.55 118.36 2wnl n ASP 133 Ca -0.02 -1.92 -0.25 0.00 -0.01 0.00 0.00 54.79 52.59 2wnl n ASP 133 Cb 0.29 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.14 4.70 0.05 -1.12 1.04 -0.07 -4.93 113.70 112.23 2wnl s SER 134 Ca 0.25 -1.19 -0.19 0.00 0.48 0.00 0.00 55.95 55.30 2wnl s SER 134 Cb 0.13 0.40 -0.14 0.00 0.10 0.00 0.00 66.02 66.52 2wnl s SER 134 CO 0.18 -1.14 1.34 -0.08 0.98 0.00 0.00 173.24 174.52 2wnl h GLU 135 N 0.67 0.44 0.00 4.02 4.57 -1.90 -3.19 114.58 119.19 2wnl h GLU 135 Ca -0.36 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 2wnl h GLU 135 Cb 1.30 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2wnl h GLU 135 CO 0.55 0.84 0.00 1.05 -1.18 0.00 0.00 179.01 180.26 2wnl h GLU 136 N 0.08 0.00 0.00 1.92 9.09 -1.96 -3.48 114.58 120.23 2wnl h GLU 136 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2wnl h GLU 136 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.88 2wnl h GLU 136 CO 0.05 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.52 2wnl n GLY 137 N 0.78 -1.97 3.86 1.06 0.00 -1.15 -4.82 105.19 102.96 2wnl n GLY 137 Ca 0.03 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.09 3.75 -0.11 4.61 0.00 0.12 -4.29 121.76 124.75 2wnl s ALA 138 Ca 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 2wnl s ALA 138 Cb 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.79 2wnl s ALA 138 CO 0.00 0.17 -0.01 0.99 0.00 0.00 0.00 175.76 176.91 2wnl s THR 139 N -2.16 0.59 0.23 0.00 2.01 -1.26 -2.07 115.64 112.98 2wnl s THR 139 Ca 0.36 -0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.31 2wnl s THR 139 Cb -0.08 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 2wnl s THR 139 CO 0.26 0.20 -0.13 0.00 -0.69 0.00 0.00 174.62 174.27 2wnl s ALA 141 N -2.94 -0.93 -0.07 0.00 0.00 -1.26 -0.97 121.76 115.60 2wnl s ALA 141 Ca 0.25 0.94 -0.05 0.00 0.00 0.00 0.00 51.96 53.10 2wnl s ALA 141 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2wnl s ALA 141 CO 0.09 -0.20 0.17 0.54 0.00 0.00 0.00 175.76 176.36 2wnl s VAL 142 N -0.10 -0.01 -0.03 0.00 0.11 -0.38 -4.91 120.40 115.08 2wnl s VAL 142 Ca -0.03 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 2wnl s VAL 142 Cb -0.03 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 2wnl s VAL 142 CO 0.01 0.02 0.27 -0.54 -3.33 0.00 0.00 175.10 171.53 2wnl s LYS 143 N 0.36 3.62 0.06 1.54 1.02 -1.26 -0.74 119.74 124.34 2wnl s LYS 143 Ca -0.02 0.02 0.08 0.00 0.02 0.00 0.00 55.97 56.06 2wnl s LYS 143 Cb -0.04 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 2wnl s LYS 143 CO -0.02 0.69 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.85 2wnl s PHE 144 N -1.19 2.53 0.00 3.18 0.08 -0.42 -0.85 117.98 121.31 2wnl s PHE 144 Ca 0.24 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.01 2wnl s PHE 144 Cb -0.14 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 2wnl s PHE 144 CO 0.12 0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.93 2wnl n GLY 145 N 1.38 0.66 3.74 4.36 0.00 -0.71 -0.53 105.19 114.10 2wnl n GLY 145 Ca -0.16 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 2wnl n GLY 145 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wnl n SER 146 N 0.00 3.65 0.09 1.61 2.88 -1.26 -0.30 113.62 120.29 2wnl n SER 146 Ca 0.00 1.17 -0.15 0.00 -1.33 0.00 0.00 58.87 58.56 2wnl n SER 146 Cb 0.00 -1.58 -0.09 0.00 -0.75 0.00 0.00 64.21 61.79 2wnl n SER 146 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2wnl h TRP 147 N 4.11 0.57 0.00 0.66 2.91 -1.87 -3.41 115.95 118.93 2wnl h TRP 147 Ca -0.48 -0.36 0.00 0.00 1.13 0.00 0.00 58.89 59.18 2wnl h TRP 147 Cb 1.24 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 2wnl h TRP 147 CO 0.56 1.22 -1.28 1.33 -1.03 0.00 0.00 178.44 179.25 2wnl n VAL 148 N -3.65 0.00 -4.02 2.65 0.24 -1.26 -5.02 118.33 107.27 2wnl n VAL 148 Ca -0.08 -0.16 -0.36 0.00 -2.04 0.00 0.00 64.34 61.70 2wnl n VAL 148 Cb 0.93 0.36 -0.08 0.00 -1.47 0.00 0.00 33.84 33.58 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 -2.45 3.39 0.93 6.34 2.02 -1.26 -5.11 117.35 121.21 2wnl s TYR 149 Ca -0.02 0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.85 2wnl s TYR 149 Cb 0.04 -1.96 0.18 0.00 -0.40 0.00 0.00 41.96 39.82 2wnl s TYR 149 CO 0.28 0.49 1.29 -1.54 -1.57 0.00 0.00 175.55 174.50 2wnl s SER 150 N -0.52 3.40 0.00 2.29 1.04 -1.26 -4.75 113.70 113.89 2wnl s SER 150 Ca 0.11 0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.94 2wnl s SER 150 Cb -0.12 -0.48 0.24 0.00 0.10 0.00 0.00 66.02 65.76 2wnl s SER 150 CO 0.02 -2.56 1.08 0.61 0.98 0.00 0.00 173.24 173.37 2wnl n GLY 151 N -3.67 -0.56 0.07 7.32 0.00 -0.38 -1.55 105.19 106.43 2wnl n GLY 151 Ca 0.14 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2wnl n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wnl n PHE 152 N -1.39 0.63 -0.07 1.61 3.72 -1.26 -4.32 117.46 116.38 2wnl n PHE 152 Ca 0.02 0.18 -0.12 0.00 -0.05 0.00 0.00 57.45 57.49 2wnl n PHE 152 Cb 0.05 -0.72 -0.06 0.00 -0.94 0.00 0.00 39.48 37.81 2wnl n PHE 152 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2wnl n GLU 153 N -2.13 0.35 -4.50 -1.08 4.71 -0.59 -4.05 120.64 113.34 2wnl n GLU 153 Ca 0.04 0.10 -0.28 0.00 -0.01 0.00 0.00 57.16 57.01 2wnl n GLU 153 Cb 0.43 -1.22 -0.17 0.00 -1.01 0.00 0.00 31.44 29.47 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 -2.29 1.45 -0.19 -3.67 1.01 -0.63 -1.20 121.20 115.69 2wnl s ILE 154 Ca -0.20 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 2wnl s ILE 154 Cb 0.06 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 2wnl s ILE 154 CO 0.32 0.43 0.04 -0.62 0.00 0.00 0.00 174.94 175.10 2wnl s ASP 155 N 0.92 5.35 0.27 3.58 2.15 -0.02 -3.95 116.67 124.97 2wnl s ASP 155 Ca -0.08 -0.01 -0.10 0.00 0.43 0.00 0.00 52.55 52.78 2wnl s ASP 155 Cb -0.15 -1.91 -0.07 0.00 -0.30 0.00 0.00 42.92 40.48 2wnl s ASP 155 CO -0.00 0.14 0.60 -0.76 -0.17 0.00 0.00 175.17 174.98 2wnl s LEU 156 N 0.55 4.11 0.08 -1.34 1.43 -1.26 -0.53 118.68 121.73 2wnl s LEU 156 Ca 0.02 0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 54.00 2wnl s LEU 156 Cb -0.13 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.32 2wnl s LEU 156 CO 0.02 -0.13 0.23 -0.75 0.23 0.00 0.00 176.35 175.94 2wnl s LYS 157 N -2.98 0.85 0.16 1.70 2.20 -0.56 -4.91 119.74 116.20 2wnl s LYS 157 Ca 0.49 -0.83 0.08 0.00 -0.36 0.00 0.00 55.97 55.35 2wnl s LYS 157 Cb -0.11 0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 2wnl s LYS 157 CO 0.22 -0.28 -0.17 0.95 -0.36 0.00 0.00 175.35 175.71 2wnl s THR 158 N -3.52 1.73 -0.26 3.43 -4.23 -1.26 -0.43 115.64 111.10 2wnl s THR 158 Ca 0.02 -1.92 0.20 0.00 -1.18 0.00 0.00 61.69 58.81 2wnl s THR 158 Cb 0.03 -1.82 0.09 0.00 1.34 0.00 0.00 72.50 72.14 2wnl s THR 158 CO -0.09 -0.37 1.24 0.44 -0.54 0.00 0.00 174.62 175.30 2wnl h ASP 159 N 3.20 0.00 -5.01 3.99 3.32 -1.98 -3.48 116.42 116.47 2wnl h ASP 159 Ca -0.41 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.58 2wnl h ASP 159 Cb 1.21 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.59 2wnl h ASP 159 CO 0.52 0.19 0.12 0.28 -1.72 0.00 0.00 179.24 178.63 2wnl s THR 160 N -3.17 0.01 -2.25 0.35 -1.32 -1.26 -5.02 115.64 102.98 2wnl s THR 160 Ca 0.02 -0.10 0.29 0.00 -1.21 0.00 0.00 61.69 60.70 2wnl s THR 160 Cb 0.08 -0.97 0.67 0.00 -1.51 0.00 0.00 72.50 70.76 2wnl s THR 160 CO 0.75 -0.06 1.92 0.47 -2.21 0.00 0.00 174.62 175.50 2wnl n ASP 161 N 0.55 0.89 -4.38 8.08 8.00 -1.26 -4.78 116.55 123.65 2wnl n ASP 161 Ca -0.19 -1.25 -0.45 0.00 0.71 0.00 0.00 54.79 53.62 2wnl n ASP 161 Cb 0.59 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.62 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 -2.04 2.99 0.26 -1.24 2.00 -1.26 -0.62 119.66 119.74 2wnl s GLN 162 Ca 0.41 -1.39 -0.31 0.00 -2.00 0.00 0.00 55.36 52.06 2wnl s GLN 162 Cb 0.21 -4.17 -0.13 0.00 0.80 0.00 0.00 33.01 29.73 2wnl s GLN 162 CO 0.36 -1.11 1.49 0.28 -0.50 0.00 0.00 175.29 175.81 2wnl n VAL 163 N 5.24 0.94 -2.56 1.34 0.31 -0.87 -4.90 118.33 117.84 2wnl n VAL 163 Ca -0.12 -0.23 -0.43 0.00 -0.01 0.00 0.00 64.34 63.54 2wnl n VAL 163 Cb 0.43 -1.67 -0.02 0.00 -0.91 0.00 0.00 33.84 31.67 2wnl n VAL 163 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wnl s ASP 164 N 0.40 6.65 -0.07 4.52 -1.08 -0.40 -4.88 116.67 121.81 2wnl s ASP 164 Ca 0.67 0.68 0.16 0.00 -0.52 0.00 0.00 52.55 53.54 2wnl s ASP 164 Cb -0.59 -2.55 0.52 0.00 -1.46 0.00 0.00 42.92 38.85 2wnl s ASP 164 CO 0.49 -1.20 1.44 0.18 0.52 0.00 0.00 175.17 176.60 2wnl n LEU 165 N 7.79 3.82 0.00 -1.34 4.77 -1.26 -2.39 117.00 128.39 2wnl n LEU 165 Ca 0.13 -2.31 0.12 0.00 -0.03 0.00 0.00 56.01 53.91 2wnl n LEU 165 Cb 0.48 -0.43 0.69 0.00 -2.33 0.00 0.00 43.42 41.83 2wnl n LEU 165 CO 0.69 0.79 0.88 -1.54 -1.33 0.00 0.00 177.39 176.88 2wnl n SER 166 N 0.70 0.00 -0.09 -1.43 3.41 -1.26 -2.27 113.62 112.68 2wnl n SER 166 Ca 0.20 -0.69 0.05 0.00 -0.26 0.00 0.00 58.87 58.17 2wnl n SER 166 Cb 0.68 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.68 2wnl n SER 166 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wnl n SER 167 N -1.02 1.76 -4.74 4.04 7.64 -1.26 -5.06 113.62 114.98 2wnl n SER 167 Ca 0.17 -2.44 -0.41 0.00 1.01 0.00 0.00 58.87 57.19 2wnl n SER 167 Cb 0.09 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.70 3.16 -0.09 1.43 5.04 -0.96 -4.52 117.35 119.71 2wnl s TYR 168 Ca 0.15 1.07 -0.29 0.00 -2.44 0.00 0.00 57.07 55.56 2wnl s TYR 168 Cb 0.13 -3.71 -0.07 0.00 0.35 0.00 0.00 41.96 38.66 2wnl s TYR 168 CO 0.01 -2.35 2.09 -0.47 -1.34 0.00 0.00 175.55 173.50 2wnl s TYR 169 N 0.29 1.21 -0.54 4.97 5.04 0.11 -4.84 117.35 123.59 2wnl s TYR 169 Ca 0.60 0.02 0.18 0.00 -2.44 0.00 0.00 57.07 55.43 2wnl s TYR 169 Cb -0.39 -4.09 0.84 0.00 0.35 0.00 0.00 41.96 38.67 2wnl s TYR 169 CO 0.38 -4.87 1.55 0.00 -1.34 0.00 0.00 175.55 171.27 2wnl n ALA 170 N 9.58 1.36 -1.04 3.97 0.00 -1.26 -2.24 120.51 130.88 2wnl n ALA 170 Ca 0.25 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.87 2wnl n ALA 170 Cb 0.43 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.72 2wnl n ALA 170 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wnl n SER 171 N -2.02 2.25 -4.45 0.00 7.64 -1.26 -5.06 113.62 110.72 2wnl n SER 171 Ca 0.01 -2.99 -0.36 0.00 1.01 0.00 0.00 58.87 56.54 2wnl n SER 171 Cb 0.12 -0.40 0.08 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.34 -1.37 0.16 6.43 2.88 -0.95 -4.87 113.62 114.56 2wnl n SER 172 Ca 0.15 0.55 0.13 0.00 -1.33 0.00 0.00 58.87 58.37 2wnl n SER 172 Cb 0.62 -1.21 0.53 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.56 0.00 -5.22 -1.46 1.79 -1.92 -3.43 116.57 105.78 2wnl h LYS 173 Ca -0.45 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.46 2wnl h LYS 173 Cb 1.34 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.67 2wnl h LYS 173 CO 0.41 0.00 -0.84 0.71 -1.08 0.00 0.00 179.45 178.65 2wnl s TYR 174 N -3.39 1.73 0.09 -1.35 2.02 -1.26 -1.27 117.35 113.91 2wnl s TYR 174 Ca 0.04 -0.52 -0.07 0.00 -0.37 0.00 0.00 57.07 56.14 2wnl s TYR 174 Cb 0.09 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.43 2wnl s TYR 174 CO 0.44 -0.19 0.36 -1.83 -1.57 0.00 0.00 175.55 172.76 2wnl s GLU 175 N 0.12 3.66 0.01 -0.62 -1.05 -0.82 -4.79 118.70 115.22 2wnl s GLU 175 Ca -0.06 0.02 -0.19 0.00 -0.15 0.00 0.00 54.97 54.59 2wnl s GLU 175 Cb -0.12 -2.96 -0.06 0.00 -0.44 0.00 0.00 34.13 30.55 2wnl s GLU 175 CO 0.03 0.55 0.55 0.42 0.95 0.00 0.00 175.26 177.75 2wnl s ILE 176 N -1.47 4.89 -0.25 1.83 -1.09 -1.26 -2.74 121.20 121.10 2wnl s ILE 176 Ca 0.35 1.16 0.02 0.00 -2.23 0.00 0.00 60.65 59.95 2wnl s ILE 176 Cb -0.13 -3.88 -0.18 0.00 -1.58 0.00 0.00 42.46 36.69 2wnl s ILE 176 CO 0.20 0.48 -0.19 0.18 -1.23 0.00 0.00 174.94 174.38 2wnl n LEU 177 N 2.33 2.81 -3.46 2.97 4.77 0.10 -4.98 117.00 121.55 2wnl n LEU 177 Ca -0.09 -0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.67 2wnl n LEU 177 Cb 0.51 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 2wnl n LEU 177 CO 0.42 0.91 0.54 -0.94 -1.33 0.00 0.00 177.39 176.99 2wnl s SER 178 N -6.49 -0.47 -0.28 -1.43 1.04 -1.18 -4.98 113.70 99.91 2wnl s SER 178 Ca -0.33 0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 2wnl s SER 178 Cb 0.09 0.49 0.18 0.00 0.10 0.00 0.00 66.02 66.88 2wnl s SER 178 CO 0.62 -0.79 0.53 0.00 0.98 0.00 0.00 173.24 174.57 2wnl s ALA 179 N -3.40 -1.90 0.26 5.32 0.00 -1.25 -1.12 121.76 119.67 2wnl s ALA 179 Ca 0.03 1.34 0.11 0.00 0.00 0.00 0.00 51.96 53.44 2wnl s ALA 179 Cb -0.01 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 2wnl s ALA 179 CO -0.11 -1.43 -0.10 0.95 0.00 0.00 0.00 175.76 175.08 2wnl s THR 180 N 2.75 3.02 -0.21 0.00 -4.23 -0.66 -2.04 115.64 114.25 2wnl s THR 180 Ca 0.16 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2wnl s THR 180 Cb -0.14 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.18 2wnl s THR 180 CO -0.21 -0.36 0.07 0.00 -0.54 0.00 0.00 174.62 173.58 2wnl s GLN 181 N -3.52 0.45 -0.11 3.99 -2.07 0.21 -1.85 119.66 116.75 2wnl s GLN 181 Ca 0.30 -0.42 0.01 0.00 -1.82 0.00 0.00 55.36 53.43 2wnl s GLN 181 Cb -0.06 -1.90 0.02 0.00 -1.09 0.00 0.00 33.01 29.97 2wnl s GLN 181 CO 0.17 -0.74 -0.15 0.99 -1.32 0.00 0.00 175.29 174.25 2wnl s THR 182 N 1.94 1.48 0.30 3.63 2.01 -0.47 -4.28 115.64 120.25 2wnl s THR 182 Ca 0.02 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 2wnl s THR 182 Cb -0.17 -1.36 -0.10 0.00 0.01 0.00 0.00 72.50 70.88 2wnl s THR 182 CO -0.14 0.44 1.41 -0.60 -0.69 0.00 0.00 174.62 175.04 2wnl s ARG 183 N 1.09 4.26 0.01 4.92 3.52 -1.26 -0.51 118.95 130.98 2wnl s ARG 183 Ca -0.04 2.34 0.03 0.00 -0.13 0.00 0.00 55.73 57.92 2wnl s ARG 183 Cb -0.14 -3.07 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 2wnl s ARG 183 CO -0.03 -0.37 -0.08 -0.65 -0.81 0.00 0.00 175.30 173.36 2wnl s GLN 184 N -1.19 0.61 -0.17 5.12 -0.21 -0.25 -4.92 119.66 118.65 2wnl s GLN 184 Ca 0.55 -0.44 -0.02 0.00 0.02 0.00 0.00 55.36 55.46 2wnl s GLN 184 Cb -0.42 -0.54 -0.01 0.00 1.00 0.00 0.00 33.01 33.03 2wnl s GLN 184 CO 0.50 0.14 -0.09 0.08 -2.12 0.00 0.00 175.29 173.80 2wnl s VAL 185 N -0.55 3.19 0.01 1.09 1.01 -1.26 -2.23 120.40 121.66 2wnl s VAL 185 Ca -0.00 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2wnl s VAL 185 Cb -0.05 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2wnl s VAL 185 CO 0.00 0.48 -0.11 -1.10 0.00 0.00 0.00 175.10 174.37 2wnl s GLN 186 N 0.86 0.82 -0.11 2.72 -0.21 0.44 -4.95 119.66 119.23 2wnl s GLN 186 Ca -0.03 -0.50 -0.07 0.00 0.02 0.00 0.00 55.36 54.79 2wnl s GLN 186 Cb -0.15 -0.79 -0.04 0.00 1.00 0.00 0.00 33.01 33.03 2wnl s GLN 186 CO 0.01 0.21 0.15 -1.01 -2.12 0.00 0.00 175.29 172.52 2wnl s HIS 187 N -0.50 3.60 -0.04 0.91 3.76 -1.26 0.14 115.29 121.90 2wnl s HIS 187 Ca 0.02 0.52 0.02 0.00 -0.15 0.00 0.00 55.06 55.47 2wnl s HIS 187 Cb -0.05 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 2wnl s HIS 187 CO 0.00 0.73 -0.06 0.71 -0.85 0.00 0.00 174.74 175.28 2wnl s TYR 188 N -1.05 2.95 0.45 1.40 1.51 -1.25 -5.01 117.35 116.34 2wnl s TYR 188 Ca 0.16 0.02 0.33 0.00 -1.01 0.00 0.00 57.07 56.57 2wnl s TYR 188 Cb -0.12 -1.68 1.82 0.00 -0.11 0.00 0.00 41.96 41.87 2wnl s TYR 188 CO 0.05 0.37 2.02 0.66 -1.11 0.00 0.00 175.55 177.53 2wnl h SER 189 N 4.92 0.00 0.46 2.29 4.64 -1.99 0.20 113.55 124.07 2wnl h SER 189 Ca -0.49 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.72 2wnl h SER 189 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2wnl h SER 189 CO 0.53 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 175.99 2wnl h PRO 192 N 6.81 0.00 -7.02 0.00 0.13 -1.92 -3.34 132.00 126.65 2wnl h PRO 192 Ca -0.37 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.23 2wnl h PRO 192 Cb 1.16 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.39 2wnl h PRO 192 CO 0.42 0.76 0.54 -1.21 -0.23 0.00 0.00 178.00 178.29 2wnl s GLU 193 N -2.94 3.45 0.65 0.86 8.01 -1.26 -5.00 118.70 122.48 2wnl s GLU 193 Ca 0.02 2.00 -0.11 0.00 0.01 0.00 0.00 54.97 56.88 2wnl s GLU 193 Cb 0.10 -2.33 -0.02 0.00 -4.31 0.00 0.00 34.13 27.56 2wnl s GLU 193 CO 0.78 -0.86 1.04 -1.25 0.01 0.00 0.00 175.26 174.98 2wnl s PRO 194 N -2.80 3.31 0.11 0.39 0.05 -1.26 -4.64 135.00 130.16 2wnl s PRO 194 Ca 0.67 0.82 0.08 0.00 0.05 0.00 0.00 61.00 62.62 2wnl s PRO 194 Cb -0.34 -2.04 -0.04 0.00 0.05 0.00 0.00 34.50 32.13 2wnl s PRO 194 CO 0.41 -0.79 -0.20 0.71 0.05 0.00 0.00 177.00 177.18 2wnl s TYR 195 N -3.13 1.76 -0.05 0.56 2.02 0.12 -1.25 117.35 117.38 2wnl s TYR 195 Ca 0.56 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 2wnl s TYR 195 Cb -0.12 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 2wnl s TYR 195 CO 0.54 0.22 -0.03 0.42 -1.57 0.00 0.00 175.55 175.13 2wnl s ILE 196 N -1.36 0.51 0.29 2.71 1.01 -1.26 -0.42 121.20 122.68 2wnl s ILE 196 Ca 0.08 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2wnl s ILE 196 Cb -0.09 -0.57 -0.06 0.00 0.01 0.00 0.00 42.46 41.75 2wnl s ILE 196 CO 0.05 0.24 0.03 1.51 0.00 0.00 0.00 174.94 176.76 2wnl s ASP 197 N 1.23 2.21 -0.19 3.58 -4.77 -0.95 -4.53 116.67 113.26 2wnl s ASP 197 Ca -0.06 -1.31 -0.01 0.00 -3.30 0.00 0.00 52.55 47.87 2wnl s ASP 197 Cb -0.14 -0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.64 2wnl s ASP 197 CO -0.02 -0.55 -0.12 -0.69 0.70 0.00 0.00 175.17 174.49 2wnl s VAL 198 N -3.31 2.76 -0.26 2.11 1.01 0.31 -1.08 120.40 121.93 2wnl s VAL 198 Ca 0.33 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 2wnl s VAL 198 Cb 0.07 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2wnl s VAL 198 CO 0.13 0.48 0.52 0.21 0.00 0.00 0.00 175.10 176.44 2wnl s ASN 199 N 1.27 6.44 -0.28 3.32 2.47 0.33 -1.30 114.94 127.19 2wnl s ASN 199 Ca 0.03 0.53 -0.15 0.00 0.42 0.00 0.00 52.86 53.70 2wnl s ASN 199 Cb -0.14 -2.28 -0.03 0.00 -1.45 0.00 0.00 41.25 37.34 2wnl s ASN 199 CO -0.06 -0.29 0.37 -0.22 -3.72 0.00 0.00 177.10 173.19 2wnl s LEU 200 N 2.29 4.08 -0.20 3.21 2.96 0.08 -1.37 118.68 129.74 2wnl s LEU 200 Ca 0.21 0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2wnl s LEU 200 Cb -0.16 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.11 2wnl s LEU 200 CO 0.09 -0.21 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.13 2wnl s VAL 201 N 2.07 2.94 -0.11 1.68 1.01 -0.77 -1.24 120.40 125.97 2wnl s VAL 201 Ca 0.15 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2wnl s VAL 201 Cb -0.16 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2wnl s VAL 201 CO 0.10 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.82 2wnl s VAL 202 N 1.29 1.58 -0.07 2.92 1.01 -0.14 -1.66 120.40 125.32 2wnl s VAL 202 Ca 0.03 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2wnl s VAL 202 Cb -0.14 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 2wnl s VAL 202 CO -0.05 0.46 -0.14 -0.54 0.00 0.00 0.00 175.10 174.83 2wnl s LYS 203 N 0.98 2.76 0.10 2.72 1.02 -0.28 -1.72 119.74 125.33 2wnl s LYS 203 Ca -0.06 -0.69 -0.25 0.00 0.02 0.00 0.00 55.97 54.99 2wnl s LYS 203 Cb -0.15 -2.46 0.07 0.00 -0.52 0.00 0.00 37.83 34.77 2wnl s LYS 203 CO -0.02 0.51 0.63 -0.59 -0.92 0.00 0.00 175.35 174.96 2wnl s PHE 204 N -0.43 -0.56 0.10 3.18 -0.12 -0.88 -0.72 117.98 118.54 2wnl s PHE 204 Ca 0.05 0.54 -0.06 0.00 -0.05 0.00 0.00 56.93 57.41 2wnl s PHE 204 Cb -0.12 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 2wnl s PHE 204 CO 0.02 -0.77 0.15 -0.98 -0.05 0.00 0.00 175.22 173.58 2wnl s ARG 205 N -3.03 0.85 0.20 1.99 1.70 -1.11 0.13 118.95 119.69 2wnl s ARG 205 Ca -0.02 -1.09 -0.32 0.00 -0.47 0.00 0.00 55.73 53.83 2wnl s ARG 205 Cb -0.01 0.31 -0.12 0.00 -0.57 0.00 0.00 34.95 34.56 2wnl s ARG 205 CO -0.07 -0.26 1.72 0.39 -1.08 0.00 0.00 175.30 176.00 2wnl n GLU 206 N -0.05 2.71 -2.08 3.89 1.02 0.28 -1.95 120.64 124.46 2wnl n GLU 206 Ca -0.13 0.98 -0.39 0.00 -0.02 0.00 0.00 57.16 57.60 2wnl n GLU 206 Cb 0.62 -2.82 -0.03 0.00 -0.02 0.00 0.00 31.44 29.19 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 1.23 2.69 0.00 3.49 3.52 -0.40 -4.78 118.95 124.70 2wnl s ARG 207 Ca 0.76 0.57 0.31 0.00 -0.13 0.00 0.00 55.73 57.24 2wnl s ARG 207 Cb -0.52 -4.37 1.76 0.00 -1.56 0.00 0.00 34.95 30.26 2wnl s ARG 207 CO 0.33 -2.66 2.15 0.54 -0.81 0.00 0.00 175.30 174.84