#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnl h LYS -1 N 0.00 0.00 0.00 -0.67 1.57 -2.05 -1.50 116.57 113.92 2wnl h LYS -1 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2wnl h LYS -1 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2wnl h LYS -1 CO 0.00 0.14 -0.50 1.25 -0.57 0.00 0.00 179.45 179.77 2wnl h LEU 0 N 0.00 0.00 -0.11 2.94 5.85 -2.05 -2.11 115.31 119.83 2wnl h LEU 0 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2wnl h LEU 0 Cb 0.39 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2wnl h LEU 0 CO 0.02 0.50 -0.15 0.45 -0.34 0.00 0.00 178.44 178.91 2wnl h HIS 1 N 0.00 0.35 -0.62 1.25 3.86 -1.71 -2.06 115.15 116.22 2wnl h HIS 1 Ca -0.00 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.11 2wnl h HIS 1 Cb 0.92 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 2wnl h HIS 1 CO 0.00 0.74 0.41 0.66 0.86 0.00 0.00 177.93 180.60 2wnl h SER 2 N -0.14 0.66 -0.68 2.45 4.64 -1.51 0.42 113.55 119.39 2wnl h SER 2 Ca 0.01 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2wnl h SER 2 Cb 0.70 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 2wnl h SER 2 CO 0.03 0.46 0.38 -0.61 -0.87 0.00 0.00 176.83 176.22 2wnl h GLN 3 N 0.77 0.67 0.08 4.77 4.15 -1.35 -2.71 115.11 121.48 2wnl h GLN 3 Ca 0.24 -0.04 -0.26 0.00 0.77 0.00 0.00 58.65 59.36 2wnl h GLN 3 Cb 0.01 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.56 2wnl h GLN 3 CO -0.06 0.45 -1.12 0.00 -1.93 0.00 0.00 178.83 176.17 2wnl h ALA 4 N 1.36 0.20 -0.16 3.38 0.00 -0.05 -3.09 119.26 120.90 2wnl h ALA 4 Ca 0.31 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2wnl h ALA 4 Cb 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wnl h ALA 4 CO -0.19 0.88 -0.08 -0.91 0.00 0.00 0.00 179.25 178.95 2wnl h ASN 5 N 0.15 0.22 0.02 0.00 2.35 -0.32 -1.77 115.58 116.23 2wnl h ASN 5 Ca -0.12 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2wnl h ASN 5 Cb 1.80 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 40.12 2wnl h ASN 5 CO 0.19 0.33 -0.01 0.25 -1.65 0.00 0.00 177.43 176.54 2wnl h LEU 6 N 0.23 -0.02 0.00 1.61 5.85 -1.43 0.83 115.31 122.38 2wnl h LEU 6 Ca 0.05 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2wnl h LEU 6 Cb 0.29 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2wnl h LEU 6 CO 0.01 0.25 0.00 0.23 -0.34 0.00 0.00 178.44 178.59 2wnl n MET 7 N -4.97 0.08 -0.06 1.25 2.81 -1.15 0.29 117.12 115.37 2wnl n MET 7 Ca -0.08 0.14 -0.03 0.00 -1.81 0.00 0.00 57.70 55.92 2wnl n MET 7 Cb 0.16 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 2wnl n MET 7 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2wnl h ARG 8 N 0.00 0.00 -0.75 0.03 2.43 -0.92 -3.01 114.38 112.16 2wnl h ARG 8 Ca 0.00 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.32 2wnl h ARG 8 Cb 0.31 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.71 2wnl h ARG 8 CO 0.00 0.10 -0.21 1.25 -1.51 0.00 0.00 179.97 179.60 2wnl h LEU 9 N -1.00 -0.78 -1.30 3.80 5.85 0.10 0.54 115.31 122.53 2wnl h LEU 9 Ca -0.01 0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 2wnl h LEU 9 Cb 0.23 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2wnl h LEU 9 CO -0.01 -0.26 -0.20 0.11 -0.34 0.00 0.00 178.44 177.74 2wnl h LYS 10 N -0.02 0.22 -0.18 1.25 1.57 -0.35 -1.63 116.57 117.43 2wnl h LYS 10 Ca 0.35 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 2wnl h LYS 10 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2wnl h LYS 10 CO -0.78 0.42 -0.36 1.03 -0.57 0.00 0.00 179.45 179.20 2wnl h SER 11 N 0.20 0.63 -0.69 0.86 0.87 -0.35 -2.90 113.55 112.17 2wnl h SER 11 Ca 0.04 -0.55 0.05 0.00 -1.23 0.00 0.00 61.79 60.10 2wnl h SER 11 Cb 0.48 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 2wnl h SER 11 CO 0.03 1.06 0.40 0.44 -0.53 0.00 0.00 176.83 178.23 2wnl h ASP 12 N 0.22 0.61 -0.04 6.23 3.32 0.23 -2.44 116.42 124.55 2wnl h ASP 12 Ca 0.01 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2wnl h ASP 12 Cb 0.95 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2wnl h ASP 12 CO 0.08 0.40 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.69 2wnl h LEU 13 N 0.74 0.27 0.00 1.55 3.38 -1.35 -3.26 115.31 116.64 2wnl h LEU 13 Ca 0.30 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2wnl h LEU 13 Cb 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2wnl h LEU 13 CO -0.17 0.90 -0.68 0.49 0.09 0.00 0.00 178.44 179.07 2wnl n PHE 14 N -4.52 0.10 -0.07 1.13 0.99 -1.10 -4.23 117.46 109.76 2wnl n PHE 14 Ca -0.09 0.04 -0.08 0.00 -0.00 0.00 0.00 57.45 57.33 2wnl n PHE 14 Cb 0.46 -0.41 -0.01 0.00 -1.00 0.00 0.00 39.48 38.52 2wnl n PHE 14 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 2wnl h ASN 15 N -0.74 0.12 0.17 4.37 -0.26 -1.69 -3.31 115.58 114.24 2wnl h ASN 15 Ca 0.00 0.02 -0.25 0.00 -0.56 0.00 0.00 56.30 55.52 2wnl h ASN 15 Cb 0.68 0.01 0.02 0.00 -1.06 0.00 0.00 38.32 37.97 2wnl h ASN 15 CO 0.00 0.10 -1.12 0.03 -1.06 0.00 0.00 177.43 175.38 2wnl h ARG 16 N 0.23 0.36 -7.39 0.81 3.08 -1.60 -3.46 114.38 106.40 2wnl h ARG 16 Ca 0.12 -0.61 -0.50 0.00 0.07 0.00 0.00 59.98 59.05 2wnl h ARG 16 Cb 0.07 0.23 0.08 0.00 0.08 0.00 0.00 29.97 30.43 2wnl h ARG 16 CO -0.11 1.29 0.39 -1.54 -1.07 0.00 0.00 179.97 178.93 2wnl s SER 17 N -7.15 5.54 0.51 7.04 1.04 -1.23 -5.05 113.70 114.40 2wnl s SER 17 Ca -0.14 1.39 -0.20 0.00 0.48 0.00 0.00 55.95 57.48 2wnl s SER 17 Cb 0.02 -2.28 -0.08 0.00 0.10 0.00 0.00 66.02 63.79 2wnl s SER 17 CO 0.85 -1.31 1.07 -2.84 0.98 0.00 0.00 173.24 171.99 2wnl s PRO 18 N -5.18 3.65 0.36 4.02 0.02 -1.26 -4.86 135.00 131.74 2wnl s PRO 18 Ca 0.57 1.44 -0.28 0.00 0.02 0.00 0.00 61.00 62.76 2wnl s PRO 18 Cb -0.12 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 32.23 2wnl s PRO 18 CO 0.54 -0.57 1.31 -1.64 -0.33 0.00 0.00 177.00 176.31 2wnl s MET 19 N -3.26 4.22 0.02 5.54 -1.94 -1.26 -4.97 119.30 117.66 2wnl s MET 19 Ca 0.69 2.20 -0.30 0.00 -1.71 0.00 0.00 55.69 56.57 2wnl s MET 19 Cb -0.19 -2.96 -0.07 0.00 2.01 0.00 0.00 34.83 33.62 2wnl s MET 19 CO 0.22 -0.30 1.54 -0.47 -0.01 0.00 0.00 175.02 176.01 2wnl s TYR 20 N -1.18 2.55 -2.05 -0.03 6.04 -1.26 -4.90 117.35 116.50 2wnl s TYR 20 Ca 0.52 0.52 0.15 0.00 0.04 0.00 0.00 57.07 58.29 2wnl s TYR 20 Cb -0.39 -3.83 0.43 0.00 -1.04 0.00 0.00 41.96 37.13 2wnl s TYR 20 CO 0.52 -3.25 1.35 -0.35 -1.54 0.00 0.00 175.55 172.28 2wnl n PRO 21 N 5.72 1.98 0.00 4.97 -0.04 -1.26 -4.99 135.00 141.37 2wnl n PRO 21 Ca 0.15 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 2wnl n PRO 21 Cb 0.42 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2wnl n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wnl n GLY 22 N 1.19 -0.04 3.81 0.55 0.00 -1.26 -5.01 105.19 104.43 2wnl n GLY 22 Ca 0.15 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.19 3.84 0.43 1.61 0.04 -1.26 -5.04 135.00 133.42 2wnl s PRO 23 Ca 0.00 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.29 2wnl s PRO 23 Cb 0.00 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2wnl s PRO 23 CO 0.00 -0.38 0.06 0.95 0.04 0.00 0.00 177.00 177.67 2wnl s THR 24 N -2.20 1.07 0.35 1.26 -4.23 -0.94 -4.96 115.64 105.98 2wnl s THR 24 Ca 0.64 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2wnl s THR 24 Cb -0.14 -2.46 0.20 0.00 1.34 0.00 0.00 72.50 71.45 2wnl s THR 24 CO 0.23 0.00 1.93 0.11 -0.54 0.00 0.00 174.62 176.35 2wnl h LYS 25 N 1.71 0.64 -0.06 3.99 1.57 -1.92 -2.10 116.57 120.39 2wnl h LYS 25 Ca -0.40 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.12 2wnl h LYS 25 Cb 1.28 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2wnl h LYS 25 CO 0.68 0.54 -0.69 -0.44 -0.57 0.00 0.00 179.45 178.96 2wnl h ASP 26 N 0.63 0.35 -2.27 0.86 3.32 -1.96 -3.37 116.42 113.98 2wnl h ASP 26 Ca 0.15 -0.22 -0.59 0.00 0.02 0.00 0.00 57.03 56.39 2wnl h ASP 26 Cb 0.15 -0.10 -0.41 0.00 0.22 0.00 0.00 39.33 39.19 2wnl h ASP 26 CO -0.01 0.93 -0.73 -0.67 -1.72 0.00 0.00 179.24 177.04 2wnl n ASP 27 N -3.82 2.64 -4.73 6.45 2.03 -0.96 -5.11 116.55 113.05 2wnl n ASP 27 Ca -0.03 -3.19 -0.30 0.00 0.52 0.00 0.00 54.79 51.78 2wnl n ASP 27 Cb 0.68 -0.67 0.13 0.00 -0.72 0.00 0.00 41.12 40.54 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 -1.93 1.54 -0.03 -0.67 0.04 -0.83 -2.21 135.00 130.90 2wnl s PRO 28 Ca 0.37 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.40 2wnl s PRO 28 Cb 0.12 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.86 2wnl s PRO 28 CO -0.06 -2.09 -0.03 -1.17 0.04 0.00 0.00 177.00 173.68 2wnl s LEU 29 N -6.16 1.38 -0.15 -3.56 2.96 0.07 -4.93 118.68 108.29 2wnl s LEU 29 Ca 0.63 -0.09 -0.17 0.00 -0.22 0.00 0.00 54.13 54.28 2wnl s LEU 29 Cb -0.18 -0.35 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 2wnl s LEU 29 CO 0.57 -0.05 0.42 -0.89 -1.32 0.00 0.00 176.35 175.07 2wnl s THR 30 N 0.80 5.22 -0.18 3.68 2.01 -1.26 -0.26 115.64 125.64 2wnl s THR 30 Ca -0.10 0.81 0.01 0.00 0.31 0.00 0.00 61.69 62.72 2wnl s THR 30 Cb -0.13 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.65 2wnl s THR 30 CO -0.00 0.32 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.37 2wnl s VAL 31 N 0.74 2.02 -0.11 3.82 1.01 -0.14 -4.38 120.40 123.35 2wnl s VAL 31 Ca 0.22 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 2wnl s VAL 31 Cb -0.14 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 2wnl s VAL 31 CO 0.08 0.51 0.35 -0.89 0.00 0.00 0.00 175.10 175.15 2wnl s THR 32 N 1.30 5.23 0.02 3.92 2.01 0.13 -1.21 115.64 127.04 2wnl s THR 32 Ca 0.05 0.68 0.07 0.00 0.31 0.00 0.00 61.69 62.80 2wnl s THR 32 Cb -0.13 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 2wnl s THR 32 CO -0.13 0.43 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.80 2wnl s LEU 33 N 0.07 2.11 -0.24 4.42 0.20 0.13 -0.95 118.68 124.42 2wnl s LEU 33 Ca 0.20 -0.46 -0.26 0.00 0.69 0.00 0.00 54.13 54.30 2wnl s LEU 33 Cb -0.14 -1.05 0.07 0.00 -0.43 0.00 0.00 46.19 44.64 2wnl s LEU 33 CO 0.07 0.21 0.74 -0.83 -0.29 0.00 0.00 176.35 176.25 2wnl s GLY 34 N -0.87 -0.52 -0.07 7.98 0.00 -0.40 -4.26 107.32 109.18 2wnl s GLY 34 Ca 0.08 1.99 0.02 0.00 0.00 0.00 0.00 44.72 46.81 2wnl s GLY 34 CO 0.01 1.66 -0.13 -1.36 0.00 0.00 0.00 173.10 173.27 2wnl s PHE 35 N 0.18 2.75 -0.31 1.90 0.08 -1.26 0.48 117.98 121.80 2wnl s PHE 35 Ca -0.01 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.75 2wnl s PHE 35 Cb -0.04 -1.69 0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2wnl s PHE 35 CO 0.02 0.11 0.04 0.99 -0.10 0.00 0.00 175.22 176.28 2wnl s THR 36 N -0.49 3.36 -0.16 0.64 2.01 0.39 -2.39 115.64 118.99 2wnl s THR 36 Ca 0.06 -1.19 -0.24 0.00 0.31 0.00 0.00 61.69 60.63 2wnl s THR 36 Cb -0.12 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 2wnl s THR 36 CO 0.02 -0.09 0.77 -0.22 -0.69 0.00 0.00 174.62 174.41 2wnl s LEU 37 N 1.34 4.18 -0.24 4.42 2.96 -1.03 -0.81 118.68 129.51 2wnl s LEU 37 Ca -0.03 1.09 0.04 0.00 -0.22 0.00 0.00 54.13 55.01 2wnl s LEU 37 Cb -0.19 -3.14 -0.17 0.00 0.50 0.00 0.00 46.19 43.19 2wnl s LEU 37 CO 0.00 -0.34 -0.19 0.00 -1.32 0.00 0.00 176.35 174.51 2wnl n GLN 38 N 5.03 0.64 -3.62 1.98 6.02 -0.46 -3.49 117.38 123.49 2wnl n GLN 38 Ca 0.02 0.13 -0.13 0.00 -0.01 0.00 0.00 57.00 57.01 2wnl n GLN 38 Cb 0.49 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.19 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 -6.27 -0.63 -0.38 1.08 2.15 -0.99 0.55 116.67 112.18 2wnl s ASP 39 Ca -0.31 1.16 -0.17 0.00 0.43 0.00 0.00 52.55 53.67 2wnl s ASP 39 Cb 0.08 1.16 0.01 0.00 -0.30 0.00 0.00 42.92 43.87 2wnl s ASP 39 CO 0.59 -0.25 0.43 -0.63 -0.17 0.00 0.00 175.17 175.15 2wnl s ILE 40 N 0.16 5.09 -0.09 4.11 1.01 -1.26 -0.95 121.20 129.27 2wnl s ILE 40 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 2wnl s ILE 40 Cb -0.04 -3.96 -0.28 0.00 0.01 0.00 0.00 42.46 38.19 2wnl s ILE 40 CO -0.01 -0.28 0.51 0.58 0.00 0.00 0.00 174.94 175.75 2wnl h VAL 41 N 5.65 0.77 -2.69 2.92 2.07 -1.53 -3.40 116.25 120.02 2wnl h VAL 41 Ca -0.28 -2.43 -0.12 0.00 0.82 0.00 0.00 66.70 64.70 2wnl h VAL 41 Cb 1.12 2.62 -0.25 0.00 -1.52 0.00 0.00 31.29 33.27 2wnl h VAL 41 CO 0.76 0.88 -0.24 -0.75 0.02 0.00 0.00 177.57 178.23 2wnl s LYS 42 N -2.57 0.46 -0.15 1.57 2.20 -1.23 -4.93 119.74 115.10 2wnl s LYS 42 Ca -0.19 0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 56.05 2wnl s LYS 42 Cb 0.06 0.16 0.04 0.00 -1.51 0.00 0.00 37.83 36.58 2wnl s LYS 42 CO 0.81 -0.09 -0.02 0.00 -0.36 0.00 0.00 175.35 175.69 2wnl s ALA 43 N 0.57 1.20 -0.36 3.13 0.00 -1.26 0.36 121.76 125.41 2wnl s ALA 43 Ca -0.03 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2wnl s ALA 43 Cb -0.05 -1.04 0.06 0.00 0.00 0.00 0.00 23.12 22.10 2wnl s ALA 43 CO -0.03 -0.77 0.13 0.34 0.00 0.00 0.00 175.76 175.43 2wnl s ASP 44 N 1.76 5.31 0.00 0.00 -1.08 0.48 -4.96 116.67 118.18 2wnl s ASP 44 Ca 0.02 -1.36 0.20 0.00 -0.52 0.00 0.00 52.55 50.89 2wnl s ASP 44 Cb -0.15 -1.86 1.04 0.00 -1.46 0.00 0.00 42.92 40.49 2wnl s ASP 44 CO -0.07 -0.39 1.69 -1.54 0.52 0.00 0.00 175.17 175.38 2wnl n SER 45 N 4.77 0.56 0.00 -0.34 3.41 -1.26 -0.67 113.62 120.09 2wnl n SER 45 Ca -0.11 -1.48 0.02 0.00 -0.26 0.00 0.00 58.87 57.04 2wnl n SER 45 Cb 0.44 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 2wnl n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wnl n SER 46 N -0.43 0.46 -0.00 4.04 3.41 -1.26 -4.43 113.62 115.41 2wnl n SER 46 Ca 0.15 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2wnl n SER 46 Cb 0.16 0.85 -0.00 0.00 -0.26 0.00 0.00 64.21 64.96 2wnl n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wnl n THR 47 N -2.67 0.00 -3.55 6.66 -2.24 -1.21 -5.04 114.28 106.23 2wnl n THR 47 Ca -0.12 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 60.93 2wnl n THR 47 Cb 0.80 1.00 0.05 0.00 -2.10 0.00 0.00 70.33 70.08 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 -0.62 -4.65 -4.11 3.42 3.02 0.15 -4.94 115.26 107.52 2wnl n ASN 48 Ca 0.00 -0.87 -0.24 0.00 -0.03 0.00 0.00 54.58 53.44 2wnl n ASN 48 Cb 0.00 -4.15 -0.16 0.00 -0.61 0.00 0.00 39.78 34.87 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 -5.47 1.46 0.00 3.52 2.02 -1.01 -1.75 118.70 117.47 2wnl s GLU 49 Ca 0.35 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 54.87 2wnl s GLU 49 Cb -0.09 -1.33 -0.02 0.00 0.10 0.00 0.00 34.13 32.79 2wnl s GLU 49 CO 0.81 0.26 -0.24 0.08 0.02 0.00 0.00 175.26 176.19 2wnl s VAL 50 N -0.09 1.90 -0.19 2.63 1.01 -0.86 -0.39 120.40 124.42 2wnl s VAL 50 Ca 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 2wnl s VAL 50 Cb -0.09 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2wnl s VAL 50 CO 0.01 0.46 -0.00 -1.81 0.00 0.00 0.00 175.10 173.75 2wnl s ASP 51 N -0.77 4.89 0.13 3.32 1.11 0.16 -2.15 116.67 123.35 2wnl s ASP 51 Ca 0.09 -0.16 0.10 0.00 0.18 0.00 0.00 52.55 52.76 2wnl s ASP 51 Cb -0.09 -1.83 -0.04 0.00 1.07 0.00 0.00 42.92 42.03 2wnl s ASP 51 CO -0.00 0.09 -0.21 -0.76 1.18 0.00 0.00 175.17 175.47 2wnl s LEU 52 N 0.82 2.57 -0.09 1.23 1.43 -0.18 -1.24 118.68 123.22 2wnl s LEU 52 Ca 0.00 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 2wnl s LEU 52 Cb -0.14 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.67 2wnl s LEU 52 CO 0.02 0.17 -0.18 -0.69 0.23 0.00 0.00 176.35 175.90 2wnl s VAL 53 N -1.16 1.62 0.20 -1.59 1.01 -0.13 -1.09 120.40 119.27 2wnl s VAL 53 Ca 0.17 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 2wnl s VAL 53 Cb -0.10 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.87 2wnl s VAL 53 CO 0.09 0.46 0.56 -0.72 0.00 0.00 0.00 175.10 175.50 2wnl s TYR 54 N 0.57 -0.19 -0.03 5.22 -0.85 -0.83 -1.35 117.35 119.89 2wnl s TYR 54 Ca -0.15 -0.15 -0.01 0.00 -0.52 0.00 0.00 57.07 56.24 2wnl s TYR 54 Cb -0.17 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 2wnl s TYR 54 CO 0.05 -0.96 0.07 0.71 -1.52 0.00 0.00 175.55 173.90 2wnl s TYR 55 N -3.86 3.28 -0.27 -3.49 4.12 0.01 -1.02 117.35 116.11 2wnl s TYR 55 Ca 0.08 0.22 0.03 0.00 0.02 0.00 0.00 57.07 57.43 2wnl s TYR 55 Cb -0.02 -1.76 0.07 0.00 -1.52 0.00 0.00 41.96 38.73 2wnl s TYR 55 CO -0.03 0.55 -0.08 -2.00 0.02 0.00 0.00 175.55 174.01 2wnl s GLU 56 N -1.54 2.12 -0.15 -0.62 2.12 -0.64 -0.46 118.70 119.52 2wnl s GLU 56 Ca 0.21 -1.44 -0.26 0.00 0.36 0.00 0.00 54.97 53.83 2wnl s GLU 56 Cb -0.12 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 2wnl s GLU 56 CO 0.11 -0.64 0.87 -1.14 -0.54 0.00 0.00 175.26 173.93 2wnl s GLN 57 N 1.07 4.33 -0.05 4.30 0.74 0.18 -3.31 119.66 126.92 2wnl s GLN 57 Ca -0.05 1.11 0.05 0.00 0.05 0.00 0.00 55.36 56.51 2wnl s GLN 57 Cb -0.20 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 2wnl s GLN 57 CO -0.05 -0.31 -0.22 -0.65 -0.55 0.00 0.00 175.29 173.51 2wnl s GLN 58 N 2.07 2.25 -0.02 1.67 -0.21 -0.41 -1.28 119.66 123.72 2wnl s GLN 58 Ca 0.41 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 55.02 2wnl s GLN 58 Cb -0.17 -1.91 0.01 0.00 1.00 0.00 0.00 33.01 31.94 2wnl s GLN 58 CO 0.14 0.32 -0.05 1.03 -2.12 0.00 0.00 175.29 174.61 2wnl s ARG 59 N -0.07 0.61 0.36 2.91 0.52 -0.12 -1.99 118.95 121.17 2wnl s ARG 59 Ca -0.04 -0.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.98 2wnl s ARG 59 Cb -0.13 -0.63 0.02 0.00 0.52 0.00 0.00 34.95 34.73 2wnl s ARG 59 CO 0.03 0.01 0.56 1.67 0.02 0.00 0.00 175.30 177.59 2wnl s TRP 60 N 0.44 0.86 -0.11 -0.53 -2.14 -1.15 0.20 118.94 116.50 2wnl s TRP 60 Ca -0.05 -1.19 -0.06 0.00 2.66 0.00 0.00 56.10 57.46 2wnl s TRP 60 Cb -0.09 0.15 0.05 0.00 -3.10 0.00 0.00 33.47 30.48 2wnl s TRP 60 CO -0.00 -1.26 0.26 0.21 -2.66 0.00 0.00 176.95 173.50 2wnl s LYS 61 N -2.80 0.21 -0.08 3.25 2.20 -1.26 -0.54 119.74 120.72 2wnl s LYS 61 Ca 0.27 0.59 0.04 0.00 -0.36 0.00 0.00 55.97 56.51 2wnl s LYS 61 Cb -0.02 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 2wnl s LYS 61 CO 0.19 -0.18 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.27 2wnl s LEU 62 N 1.46 2.25 0.48 5.43 1.43 -0.30 -4.91 118.68 124.52 2wnl s LEU 62 Ca -0.08 -0.46 0.23 0.00 -1.03 0.00 0.00 54.13 52.80 2wnl s LEU 62 Cb -0.10 -1.44 1.21 0.00 0.03 0.00 0.00 46.19 45.88 2wnl s LEU 62 CO -0.09 0.23 1.99 0.78 0.23 0.00 0.00 176.35 179.48 2wnl h ASN 63 N 6.22 0.00 0.34 2.29 4.21 -1.89 -2.16 115.58 124.59 2wnl h ASN 63 Ca -0.30 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.21 2wnl h ASN 63 Cb 1.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 2wnl h ASN 63 CO 0.49 0.19 0.00 -1.54 -1.29 0.00 0.00 177.43 175.27 2wnl n SER 64 N -3.75 0.00 -1.08 5.81 3.41 -1.26 -2.77 113.62 113.98 2wnl n SER 64 Ca -0.02 -0.17 0.08 0.00 -0.26 0.00 0.00 58.87 58.50 2wnl n SER 64 Cb 0.29 -0.23 0.29 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.23 4.22 -4.87 1.04 4.77 -0.81 -4.99 117.00 115.13 2wnl n LEU 65 Ca 0.12 -2.97 -0.33 0.00 -0.03 0.00 0.00 56.01 52.80 2wnl n LEU 65 Cb 0.16 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2wnl n LEU 65 CO 0.16 0.67 0.17 -0.04 -1.33 0.00 0.00 177.39 177.02 2wnl s MET 66 N -2.76 3.81 0.09 3.23 -1.94 -1.11 -3.82 119.30 116.79 2wnl s MET 66 Ca 0.44 0.25 -0.18 0.00 -1.71 0.00 0.00 55.69 54.50 2wnl s MET 66 Cb 0.35 -2.81 0.04 0.00 2.01 0.00 0.00 34.83 34.42 2wnl s MET 66 CO 0.11 0.42 0.43 1.67 -0.01 0.00 0.00 175.02 177.64 2wnl s TRP 67 N -1.63 -0.27 -0.36 -0.03 -2.14 -0.86 -4.99 118.94 108.66 2wnl s TRP 67 Ca 0.41 0.09 -0.22 0.00 2.66 0.00 0.00 56.10 59.05 2wnl s TRP 67 Cb -0.13 0.27 0.01 0.00 -3.10 0.00 0.00 33.47 30.52 2wnl s TRP 67 CO 0.21 -0.66 0.70 0.34 -2.66 0.00 0.00 176.95 174.88 2wnl s ASP 68 N -2.45 6.49 0.30 -2.66 -1.08 -1.26 -4.67 116.67 111.34 2wnl s ASP 68 Ca -0.01 0.25 0.06 0.00 -0.52 0.00 0.00 52.55 52.33 2wnl s ASP 68 Cb 0.01 -2.36 0.79 0.00 -1.46 0.00 0.00 42.92 39.89 2wnl s ASP 68 CO -0.08 -0.65 1.70 -0.65 0.52 0.00 0.00 175.17 176.01 2wnl h PRO 69 N 8.45 0.42 -0.44 4.34 0.11 -1.93 0.17 132.00 143.12 2wnl h PRO 69 Ca -0.26 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.96 2wnl h PRO 69 Cb 1.10 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2wnl h PRO 69 CO 0.87 0.28 0.32 -0.91 -0.21 0.00 0.00 178.00 178.35 2wnl h ASN 70 N 0.43 0.00 0.51 -2.05 2.35 -1.93 0.68 115.58 115.58 2wnl h ASN 70 Ca 0.59 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.34 2wnl h ASN 70 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2wnl h ASN 70 CO -0.52 0.00 0.00 1.21 -1.65 0.00 0.00 177.43 176.47 2wnl n GLU 71 N -4.38 0.49 -1.31 0.81 4.07 0.05 -3.90 120.64 116.46 2wnl n GLU 71 Ca 0.08 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.21 2wnl n GLU 71 Cb 0.52 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.42 2wnl n GLU 71 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2wnl n TYR 72 N -1.25 0.00 -2.43 4.31 4.02 0.10 -5.02 117.16 116.90 2wnl n TYR 72 Ca 0.15 -0.41 -0.03 0.00 -0.01 0.00 0.00 57.90 57.61 2wnl n TYR 72 Cb 0.23 -0.11 0.01 0.00 -0.02 0.00 0.00 39.34 39.44 2wnl n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wnl n GLY 73 N 0.40 0.60 3.77 2.72 0.00 -1.02 -3.45 105.19 108.20 2wnl n GLY 73 Ca 0.04 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 1.16 -4.01 -4.60 1.61 2.85 -0.43 -4.96 115.26 106.88 2wnl n ASN 74 Ca -0.01 -0.73 -0.42 0.00 -0.11 0.00 0.00 54.58 53.31 2wnl n ASN 74 Cb 0.51 -4.24 -0.05 0.00 1.24 0.00 0.00 39.78 37.23 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 -3.40 4.82 -0.61 -1.44 1.01 -1.22 -4.91 121.20 115.45 2wnl s ILE 75 Ca 0.44 0.99 0.22 0.00 0.00 0.00 0.00 60.65 62.29 2wnl s ILE 75 Cb -0.21 -4.12 -0.26 0.00 0.01 0.00 0.00 42.46 37.88 2wnl s ILE 75 CO 0.80 -0.27 0.75 0.35 0.00 0.00 0.00 174.94 176.57 2wnl n THR 76 N 5.56 0.01 -3.79 2.92 -2.24 -1.26 -4.43 114.28 111.05 2wnl n THR 76 Ca 0.02 -0.20 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 2wnl n THR 76 Cb 0.48 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 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 -3.63 -0.15 0.27 3.42 1.47 -1.26 -0.87 116.67 115.91 2wnl s ASP 77 Ca 0.02 -0.52 -0.21 0.00 1.18 0.00 0.00 52.55 53.01 2wnl s ASP 77 Cb 0.15 0.55 0.02 0.00 -0.34 0.00 0.00 42.92 43.31 2wnl s ASP 77 CO 0.88 -1.03 0.73 0.72 0.68 0.00 0.00 175.17 177.14 2wnl s PHE 78 N -3.16 -0.20 0.01 2.11 -0.12 -0.73 -5.00 117.98 110.89 2wnl s PHE 78 Ca 0.14 -0.24 -0.00 0.00 -0.05 0.00 0.00 56.93 56.78 2wnl s PHE 78 Cb -0.02 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 2wnl s PHE 78 CO 0.04 -1.20 0.10 1.03 -0.05 0.00 0.00 175.22 175.14 2wnl s ARG 79 N -3.88 3.10 0.03 1.99 3.00 -1.26 -0.97 118.95 120.96 2wnl s ARG 79 Ca 0.11 -0.50 -0.18 0.00 0.00 0.00 0.00 55.73 55.16 2wnl s ARG 79 Cb -0.06 -2.88 0.04 0.00 0.00 0.00 0.00 34.95 32.05 2wnl s ARG 79 CO 0.06 0.63 0.41 -0.08 0.00 0.00 0.00 175.30 176.32 2wnl s THR 80 N -1.26 0.05 0.28 0.02 -1.32 -0.37 -4.97 115.64 108.06 2wnl s THR 80 Ca 0.25 -0.45 -0.30 0.00 -1.21 0.00 0.00 61.69 59.98 2wnl s THR 80 Cb -0.12 -0.91 -0.11 0.00 -1.51 0.00 0.00 72.50 69.85 2wnl s THR 80 CO 0.17 -0.25 1.54 -0.55 -2.21 0.00 0.00 174.62 173.32 2wnl s SER 81 N -1.87 6.48 0.58 8.08 0.15 -1.26 -0.78 113.70 125.08 2wnl s SER 81 Ca -0.07 2.84 0.31 0.00 0.70 0.00 0.00 55.95 59.74 2wnl s SER 81 Cb -0.01 -2.63 1.81 0.00 -1.71 0.00 0.00 66.02 63.48 2wnl s SER 81 CO -0.01 -0.83 2.22 0.00 1.20 0.00 0.00 173.24 175.82 2wnl h ALA 82 N 4.91 1.38 0.00 5.45 0.00 -0.31 -0.64 119.26 130.05 2wnl h ALA 82 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wnl h ALA 82 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2wnl h ALA 82 CO 0.79 0.04 0.00 0.00 0.00 0.00 0.00 179.25 180.07 2wnl h ALA 83 N 1.97 1.00 0.00 0.00 0.00 -1.90 -3.17 119.26 117.16 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 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 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 -2.46 0.43 -4.56 0.00 8.00 -0.25 -4.87 116.55 112.85 2wnl n ASP 84 Ca 0.04 0.55 -0.30 0.00 0.71 0.00 0.00 54.79 55.79 2wnl n ASP 84 Cb 0.41 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.77 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 -3.08 1.05 0.27 0.53 -4.36 -1.20 -5.05 121.20 109.36 2wnl s ILE 85 Ca 0.11 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.28 2wnl s ILE 85 Cb 0.14 -2.27 -0.09 0.00 1.25 0.00 0.00 42.46 41.49 2wnl s ILE 85 CO 0.52 0.00 0.81 0.86 0.24 0.00 0.00 174.94 177.37 2wnl s TRP 86 N -2.97 3.65 0.05 1.37 -0.00 -1.26 -4.99 118.94 114.78 2wnl s TRP 86 Ca 0.13 1.53 0.02 0.00 -0.00 0.00 0.00 56.10 57.78 2wnl s TRP 86 Cb 0.02 -2.73 -0.03 0.00 -0.00 0.00 0.00 33.47 30.73 2wnl s TRP 86 CO 0.07 0.27 -0.07 0.95 -0.00 0.00 0.00 176.95 178.17 2wnl s THR 87 N -1.59 0.50 0.33 5.86 -4.23 -1.26 -5.09 115.64 110.17 2wnl s THR 87 Ca 0.46 -1.20 -0.27 0.00 -1.18 0.00 0.00 61.69 59.50 2wnl s THR 87 Cb -0.17 -0.74 -0.09 0.00 1.34 0.00 0.00 72.50 72.84 2wnl s THR 87 CO 0.22 -0.48 1.11 -2.16 -0.54 0.00 0.00 174.62 172.77 2wnl s PRO 88 N -1.94 4.41 -0.99 3.99 0.04 -1.26 -4.93 135.00 134.32 2wnl s PRO 88 Ca -0.07 1.77 -0.08 0.00 0.04 0.00 0.00 61.00 62.66 2wnl s PRO 88 Cb -0.07 -2.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.43 2wnl s PRO 88 CO -0.01 0.01 3.05 -0.40 0.04 0.00 0.00 177.00 179.69 2wnl n ASP 89 N 0.67 7.42 -4.67 6.66 5.75 -1.26 -4.94 116.55 126.18 2wnl n ASP 89 Ca 0.01 -2.70 -0.43 0.00 -0.01 0.00 0.00 54.79 51.67 2wnl n ASP 89 Cb 0.46 -1.46 -0.02 0.00 -1.03 0.00 0.00 41.12 39.07 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 0.87 4.67 0.04 2.12 -1.09 -1.26 -2.70 121.20 123.83 2wnl s ILE 90 Ca 0.66 1.99 0.04 0.00 -2.23 0.00 0.00 60.65 61.10 2wnl s ILE 90 Cb 0.24 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 2wnl s ILE 90 CO -0.06 -0.12 -0.13 -0.89 -1.23 0.00 0.00 174.94 172.51 2wnl s THR 91 N 2.84 0.99 0.18 2.92 2.01 0.26 -4.87 115.64 119.97 2wnl s THR 91 Ca 0.46 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 61.19 2wnl s THR 91 Cb -0.17 -0.92 -0.09 0.00 0.01 0.00 0.00 72.50 71.34 2wnl s THR 91 CO 0.11 -0.04 1.40 0.00 -0.69 0.00 0.00 174.62 175.39 2wnl s ALA 92 N -0.88 3.61 -1.90 7.40 0.00 -1.26 -2.03 121.76 126.70 2wnl s ALA 92 Ca 0.00 1.20 0.27 0.00 0.00 0.00 0.00 51.96 53.43 2wnl s ALA 92 Cb -0.08 -3.54 0.89 0.00 0.00 0.00 0.00 23.12 20.40 2wnl s ALA 92 CO 0.01 -0.64 1.65 0.66 0.00 0.00 0.00 175.76 177.44 2wnl n TYR 93 N 3.18 0.00 -2.68 0.00 4.01 0.00 -4.29 117.16 117.38 2wnl n TYR 93 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2wnl n TYR 93 Cb 0.41 -0.10 0.05 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.53 0.78 -4.81 7.72 3.41 -1.26 -5.01 113.62 113.92 2wnl n SER 94 Ca 0.14 -2.05 -0.31 0.00 -0.26 0.00 0.00 58.87 56.39 2wnl n SER 94 Cb 0.34 -0.20 0.04 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.80 5.45 -0.00 4.04 1.04 -1.26 -1.54 113.70 118.63 2wnl s SER 95 Ca 0.24 1.67 0.04 0.00 0.48 0.00 0.00 55.95 58.37 2wnl s SER 95 Cb 0.34 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.91 2wnl s SER 95 CO -0.08 -1.40 0.12 0.35 0.98 0.00 0.00 173.24 173.21 2wnl n THR 96 N -2.89 0.00 -4.16 2.02 -2.24 0.78 -4.82 114.28 102.96 2wnl n THR 96 Ca 0.08 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 2wnl n THR 96 Cb 0.53 0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.71 0.82 0.36 -0.78 0.52 -1.22 -5.05 118.95 111.89 2wnl s ARG 97 Ca 0.00 -1.27 -0.28 0.00 -0.52 0.00 0.00 55.73 53.66 2wnl s ARG 97 Cb 0.02 -0.26 -0.10 0.00 0.52 0.00 0.00 34.95 35.13 2wnl s ARG 97 CO 0.15 0.00 1.31 -2.14 0.02 0.00 0.00 175.30 174.64 2wnl s PRO 98 N -3.53 4.20 0.35 3.54 0.02 -1.26 -4.63 135.00 133.68 2wnl s PRO 98 Ca 0.09 2.20 -0.29 0.00 0.02 0.00 0.00 61.00 63.03 2wnl s PRO 98 Cb 0.03 -2.94 -0.12 0.00 0.02 0.00 0.00 34.50 31.49 2wnl s PRO 98 CO -0.04 -0.32 1.47 0.28 -0.33 0.00 0.00 177.00 178.07 2wnl n VAL 99 N 0.52 1.76 -3.83 3.83 0.31 -1.26 -4.89 118.33 114.77 2wnl n VAL 99 Ca 0.01 -0.44 -0.36 0.00 -0.01 0.00 0.00 64.34 63.55 2wnl n VAL 99 Cb 0.42 -1.88 -0.11 0.00 -0.91 0.00 0.00 33.84 31.36 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 -1.67 3.82 -0.01 5.55 -0.21 -0.90 -4.97 119.66 121.26 2wnl s GLN 100 Ca 0.56 -0.40 -0.27 0.00 0.02 0.00 0.00 55.36 55.27 2wnl s GLN 100 Cb -0.50 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.13 2wnl s GLN 100 CO 0.60 -0.01 0.86 0.08 -2.12 0.00 0.00 175.29 174.69 2wnl s VAL 101 N 1.17 4.91 -1.19 1.09 1.01 -1.26 -1.24 120.40 124.89 2wnl s VAL 101 Ca 0.05 1.80 0.12 0.00 0.00 0.00 0.00 61.98 63.95 2wnl s VAL 101 Cb -0.14 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.05 2wnl s VAL 101 CO 0.04 0.22 0.74 0.18 0.00 0.00 0.00 175.10 176.28 2wnl n LEU 102 N 3.71 1.46 -4.25 3.92 4.77 0.64 -4.97 117.00 122.27 2wnl n LEU 102 Ca 0.02 -0.80 -0.14 0.00 -0.03 0.00 0.00 56.01 55.07 2wnl n LEU 102 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2wnl n LEU 102 CO 0.50 0.28 -0.38 -0.94 -1.33 0.00 0.00 177.39 175.53 2wnl s SER 103 N -1.50 1.61 0.57 -1.43 1.04 -1.24 -4.89 113.70 107.87 2wnl s SER 103 Ca 0.11 -1.08 -0.21 0.00 0.48 0.00 0.00 55.95 55.25 2wnl s SER 103 Cb 0.10 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 2wnl s SER 103 CO 0.29 -0.43 1.33 -2.84 0.98 0.00 0.00 173.24 172.57 2wnl s PRO 104 N -3.81 3.00 -1.20 4.02 0.02 -1.26 -4.81 135.00 130.96 2wnl s PRO 104 Ca 0.20 2.17 -0.06 0.00 0.02 0.00 0.00 61.00 63.33 2wnl s PRO 104 Cb 0.04 -2.15 0.22 0.00 0.02 0.00 0.00 34.50 32.63 2wnl s PRO 104 CO 0.02 -1.28 1.88 1.04 -0.33 0.00 0.00 177.00 178.33 2wnl n GLN 105 N -1.25 4.35 -4.73 5.54 1.13 -1.26 -4.85 117.38 116.31 2wnl n GLN 105 Ca 0.12 -3.96 -0.26 0.00 -1.94 0.00 0.00 57.00 50.96 2wnl n GLN 105 Cb 0.46 -2.68 -0.16 0.00 0.11 0.00 0.00 30.24 27.97 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 -1.54 1.32 0.27 5.09 1.01 -1.26 0.46 121.20 126.55 2wnl s ILE 106 Ca 0.40 -0.61 0.09 0.00 0.00 0.00 0.00 60.65 60.53 2wnl s ILE 106 Cb 0.12 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2wnl s ILE 106 CO -0.01 0.39 0.00 0.00 0.00 0.00 0.00 174.94 175.33 2wnl s ALA 107 N 0.39 3.18 -0.19 9.38 0.00 0.04 -4.66 121.76 129.90 2wnl s ALA 107 Ca -0.11 -1.65 -0.05 0.00 0.00 0.00 0.00 51.96 50.15 2wnl s ALA 107 Cb -0.14 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 2wnl s ALA 107 CO 0.04 0.26 0.00 0.08 0.00 0.00 0.00 175.76 176.14 2wnl s VAL 108 N -2.32 4.06 -0.20 0.00 1.01 -0.53 -1.24 120.40 121.19 2wnl s VAL 108 Ca 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2wnl s VAL 108 Cb -0.06 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2wnl s VAL 108 CO 0.20 0.44 -0.08 -0.69 0.00 0.00 0.00 175.10 174.98 2wnl s VAL 109 N 0.78 3.15 0.26 2.92 1.01 -0.15 -1.44 120.40 126.94 2wnl s VAL 109 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.43 2wnl s VAL 109 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2wnl s VAL 109 CO 0.02 0.46 0.42 -0.89 0.00 0.00 0.00 175.10 175.11 2wnl s THR 110 N 1.25 5.20 0.42 3.92 2.01 -0.67 -1.78 115.64 125.99 2wnl s THR 110 Ca 0.03 -0.70 0.30 0.00 0.31 0.00 0.00 61.69 61.63 2wnl s THR 110 Cb -0.14 -3.83 0.32 0.00 0.01 0.00 0.00 72.50 68.86 2wnl s THR 110 CO -0.03 -0.36 2.10 1.12 -0.69 0.00 0.00 174.62 176.76 2wnl h HIS 111 N 1.23 0.00 0.00 4.92 2.07 -1.31 0.77 115.15 122.83 2wnl h HIS 111 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 2wnl h HIS 111 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 2wnl h HIS 111 CO 0.49 0.09 0.00 -0.40 -3.07 0.00 0.00 177.93 175.04 2wnl n ASP 112 N -3.53 0.00 0.00 3.10 5.75 -1.26 -2.03 116.55 118.58 2wnl n ASP 112 Ca -0.02 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 2wnl n ASP 112 Cb 0.22 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 0.46 0.71 3.88 6.12 0.00 0.26 -4.72 105.19 111.90 2wnl n GLY 113 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.54 6.23 -0.01 1.61 1.04 -1.24 -1.15 113.70 117.63 2wnl s SER 114 Ca 0.00 1.30 0.02 0.00 0.48 0.00 0.00 55.95 57.75 2wnl s SER 114 Cb 0.00 -2.41 -0.00 0.00 0.10 0.00 0.00 66.02 63.71 2wnl s SER 114 CO 0.00 -0.81 -0.08 -0.69 0.98 0.00 0.00 173.24 172.64 2wnl s VAL 115 N -3.08 0.67 -0.06 5.02 1.01 0.29 -1.68 120.40 122.58 2wnl s VAL 115 Ca 0.53 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.23 2wnl s VAL 115 Cb -0.11 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 2wnl s VAL 115 CO 0.52 0.20 -0.22 -0.32 0.00 0.00 0.00 175.10 175.28 2wnl s MET 116 N -0.03 2.39 -0.12 2.72 1.75 -0.52 -2.91 119.30 122.57 2wnl s MET 116 Ca 0.01 -0.80 -0.05 0.00 -1.25 0.00 0.00 55.69 53.60 2wnl s MET 116 Cb -0.05 -1.99 0.06 0.00 2.84 0.00 0.00 34.83 35.69 2wnl s MET 116 CO -0.00 0.29 0.25 0.12 -0.65 0.00 0.00 175.02 175.03 2wnl s PHE 117 N 0.01 -0.39 -0.55 4.11 5.36 -0.84 -1.45 117.98 124.24 2wnl s PHE 117 Ca -0.07 0.91 0.05 0.00 -0.96 0.00 0.00 56.93 56.86 2wnl s PHE 117 Cb -0.14 -0.06 0.18 0.00 -0.34 0.00 0.00 43.02 42.66 2wnl s PHE 117 CO 0.04 -0.33 0.43 -0.89 -1.46 0.00 0.00 175.22 173.01 2wnl n ILE 118 N 5.26 0.18 -2.46 3.12 5.41 -1.26 -1.29 119.36 128.32 2wnl n ILE 118 Ca -0.07 -4.14 -0.41 0.00 1.00 0.00 0.00 62.75 59.12 2wnl n ILE 118 Cb 0.50 -1.91 -0.04 0.00 -0.71 0.00 0.00 39.64 37.48 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 -0.75 4.57 0.01 0.38 0.04 -1.21 -4.77 135.00 133.27 2wnl s PRO 119 Ca 0.30 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 2wnl s PRO 119 Cb 0.01 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 2wnl s PRO 119 CO -0.18 0.05 0.40 0.00 0.04 0.00 0.00 177.00 177.32 2wnl s ALA 120 N -0.37 3.70 0.05 8.56 0.00 -1.26 -1.61 121.76 130.82 2wnl s ALA 120 Ca 0.49 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 2wnl s ALA 120 Cb -0.31 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 2wnl s ALA 120 CO 0.37 0.49 0.05 -0.65 0.00 0.00 0.00 175.76 176.02 2wnl s GLN 121 N -1.16 0.61 -0.17 0.00 -0.21 -0.19 -0.26 119.66 118.27 2wnl s GLN 121 Ca 0.24 -0.93 -0.02 0.00 0.02 0.00 0.00 55.36 54.68 2wnl s GLN 121 Cb -0.16 0.23 -0.01 0.00 1.00 0.00 0.00 33.01 34.07 2wnl s GLN 121 CO 0.14 -0.14 -0.09 0.50 -2.12 0.00 0.00 175.29 173.57 2wnl s ARG 122 N -3.13 3.37 -0.05 2.91 3.52 -0.38 -1.98 118.95 123.22 2wnl s ARG 122 Ca -0.00 -0.66 0.06 0.00 -0.13 0.00 0.00 55.73 55.00 2wnl s ARG 122 Cb 0.02 -2.80 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 2wnl s ARG 122 CO -0.07 0.02 -0.23 -1.17 -0.81 0.00 0.00 175.30 173.04 2wnl s LEU 123 N 0.87 2.17 -0.20 -0.88 2.96 -0.25 -2.12 118.68 121.23 2wnl s LEU 123 Ca -0.03 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.40 2wnl s LEU 123 Cb -0.15 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 2wnl s LEU 123 CO 0.00 0.27 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.82 2wnl s SER 124 N -0.34 4.33 0.26 3.68 0.01 -1.26 -1.01 113.70 119.38 2wnl s SER 124 Ca 0.02 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.95 2wnl s SER 124 Cb -0.12 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 2wnl s SER 124 CO 0.02 0.03 0.17 0.72 0.41 0.00 0.00 173.24 174.59 2wnl s PHE 125 N 1.19 1.44 -0.23 2.43 -0.12 -0.92 -0.15 117.98 121.63 2wnl s PHE 125 Ca 0.02 -1.42 -0.29 0.00 -0.05 0.00 0.00 56.93 55.19 2wnl s PHE 125 Cb -0.14 -0.71 -0.00 0.00 -0.63 0.00 0.00 43.02 41.53 2wnl s PHE 125 CO -0.01 -0.63 1.25 -1.64 -0.05 0.00 0.00 175.22 174.14 2wnl s MET 126 N -3.90 4.11 -0.27 1.99 -1.94 -0.59 -2.02 119.30 116.69 2wnl s MET 126 Ca 0.38 1.46 -0.11 0.00 -1.71 0.00 0.00 55.69 55.71 2wnl s MET 126 Cb 0.06 -3.79 0.10 0.00 2.01 0.00 0.00 34.83 33.21 2wnl s MET 126 CO 0.17 -0.86 0.60 0.00 -0.01 0.00 0.00 175.02 174.93 2wnl s ASP 128 N 2.37 6.51 0.00 0.00 -1.08 -1.26 -3.09 116.67 120.11 2wnl s ASP 128 Ca -0.07 0.33 0.11 0.00 -0.52 0.00 0.00 52.55 52.41 2wnl s ASP 128 Cb -0.10 -2.36 0.35 0.00 -1.46 0.00 0.00 42.92 39.35 2wnl s ASP 128 CO -0.18 -0.61 1.28 -0.81 0.52 0.00 0.00 175.17 175.37 2wnl n PRO 129 N 6.12 1.74 -1.59 4.34 -0.04 -1.26 -4.66 135.00 139.65 2wnl n PRO 129 Ca 0.01 -1.15 -0.52 0.00 -0.04 0.00 0.00 63.50 61.80 2wnl n PRO 129 Cb 0.48 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.43 0.05 -0.29 0.52 -1.04 -1.26 -0.75 114.28 111.93 2wnl n THR 130 Ca 0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2wnl n THR 130 Cb 0.28 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 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 2.48 0.76 0.30 3.41 0.00 -1.26 -4.55 105.19 106.33 2wnl n GLY 131 Ca 0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.39 2wnl n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wnl h VAL 132 N 0.00 0.13 -0.38 1.61 2.07 -1.12 -1.28 116.25 117.28 2wnl h VAL 132 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2wnl h VAL 132 Cb 0.00 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2wnl h VAL 132 CO 0.00 0.02 0.00 -0.90 0.02 0.00 0.00 177.57 176.71 2wnl n ASP 133 N -3.22 3.12 -4.96 0.57 5.75 -1.26 -0.49 116.55 116.07 2wnl n ASP 133 Ca -0.02 -1.95 -0.23 0.00 -0.01 0.00 0.00 54.79 52.59 2wnl n ASP 133 Cb 0.18 -0.24 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.44 5.86 0.35 -1.12 1.04 -0.50 -4.95 113.70 112.94 2wnl s SER 134 Ca 0.38 0.24 0.04 0.00 0.48 0.00 0.00 55.95 57.09 2wnl s SER 134 Cb 0.22 -1.52 0.64 0.00 0.10 0.00 0.00 66.02 65.47 2wnl s SER 134 CO 0.30 -0.66 1.92 -0.08 0.98 0.00 0.00 173.24 175.70 2wnl h GLU 135 N 0.46 0.58 0.00 4.02 4.81 -1.92 -2.72 114.58 119.80 2wnl h GLU 135 Ca -0.46 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 58.59 2wnl h GLU 135 Cb 1.25 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2wnl h GLU 135 CO 0.57 0.53 -0.39 1.05 -0.73 0.00 0.00 179.01 180.03 2wnl h GLU 136 N 0.57 0.00 0.00 1.92 9.09 -1.95 -3.50 114.58 120.71 2wnl h GLU 136 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 2wnl h GLU 136 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 2wnl h GLU 136 CO -0.00 0.38 0.00 0.41 0.05 0.00 0.00 179.01 179.85 2wnl n GLY 137 N 1.20 -1.99 3.64 1.06 0.00 -1.03 -4.90 105.19 103.18 2wnl n GLY 137 Ca 0.02 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.32 3.15 -0.07 4.61 0.00 0.63 -4.24 121.76 124.52 2wnl s ALA 138 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.37 2wnl s ALA 138 Cb 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2wnl s ALA 138 CO 0.00 0.31 -0.07 0.99 0.00 0.00 0.00 175.76 176.98 2wnl s THR 139 N -2.19 0.85 0.12 0.00 2.01 -1.26 -1.37 115.64 113.80 2wnl s THR 139 Ca 0.30 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.10 2wnl s THR 139 Cb -0.07 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 2wnl s THR 139 CO 0.19 0.31 -0.13 0.00 -0.69 0.00 0.00 174.62 174.30 2wnl s ALA 141 N -2.31 -0.34 -0.03 0.00 0.00 -1.26 -0.29 121.76 117.53 2wnl s ALA 141 Ca 0.09 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 2wnl s ALA 141 Cb -0.04 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2wnl s ALA 141 CO 0.02 -0.07 0.08 0.54 0.00 0.00 0.00 175.76 176.33 2wnl s VAL 142 N 0.15 -0.02 0.05 0.00 0.11 0.09 -4.92 120.40 115.86 2wnl s VAL 142 Ca -0.01 0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.07 2wnl s VAL 142 Cb -0.02 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.65 2wnl s VAL 142 CO -0.00 0.04 0.31 -0.54 -3.33 0.00 0.00 175.10 171.57 2wnl s LYS 143 N 0.52 3.60 0.09 1.54 1.02 -1.26 -0.69 119.74 124.56 2wnl s LYS 143 Ca -0.04 -0.07 0.08 0.00 0.02 0.00 0.00 55.97 55.96 2wnl s LYS 143 Cb -0.06 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 2wnl s LYS 143 CO -0.02 0.59 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.72 2wnl s PHE 144 N -1.41 1.89 0.00 3.18 0.08 -0.68 -0.82 117.98 120.22 2wnl s PHE 144 Ca 0.32 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.97 2wnl s PHE 144 Cb -0.13 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 2wnl s PHE 144 CO 0.19 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.92 2wnl n GLY 145 N 1.24 0.15 3.76 4.36 0.00 -0.86 -1.21 105.19 112.63 2wnl n GLY 145 Ca -0.19 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2wnl n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wnl s SER 146 N 0.00 5.54 0.02 1.61 0.15 -1.26 -0.57 113.70 119.19 2wnl s SER 146 Ca 0.00 2.61 -0.16 0.00 0.70 0.00 0.00 55.95 59.10 2wnl s SER 146 Cb 0.00 -2.62 -0.35 0.00 -1.71 0.00 0.00 66.02 61.33 2wnl s SER 146 CO 0.00 -1.37 0.98 -0.25 1.20 0.00 0.00 173.24 173.79 2wnl h TRP 147 N 1.62 0.95 0.00 3.44 2.91 -1.87 -3.41 115.95 119.59 2wnl h TRP 147 Ca -0.50 -0.70 0.00 0.00 1.13 0.00 0.00 58.89 58.82 2wnl h TRP 147 Cb 1.28 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 2wnl h TRP 147 CO 0.48 1.56 0.00 1.33 -1.03 0.00 0.00 178.44 180.78 2wnl n VAL 148 N -3.74 0.09 -4.62 2.65 0.24 -1.26 -5.02 118.33 106.66 2wnl n VAL 148 Ca -0.17 -0.48 -0.34 0.00 -2.04 0.00 0.00 64.34 61.32 2wnl n VAL 148 Cb 1.09 1.08 -0.12 0.00 -1.47 0.00 0.00 33.84 34.42 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 -0.09 2.93 0.88 6.34 2.02 -1.26 -5.12 117.35 123.05 2wnl s TYR 149 Ca 0.00 -0.09 -0.10 0.00 -0.37 0.00 0.00 57.07 56.51 2wnl s TYR 149 Cb 0.00 -1.76 0.19 0.00 -0.40 0.00 0.00 41.96 39.99 2wnl s TYR 149 CO 0.00 0.22 1.21 -1.54 -1.57 0.00 0.00 175.55 173.87 2wnl s SER 150 N -0.52 3.45 0.44 2.29 1.04 -1.26 -4.66 113.70 114.46 2wnl s SER 150 Ca 0.08 -0.08 0.30 0.00 0.48 0.00 0.00 55.95 56.72 2wnl s SER 150 Cb -0.12 -0.02 1.30 0.00 0.10 0.00 0.00 66.02 67.28 2wnl s SER 150 CO 0.02 -2.49 1.89 1.23 0.98 0.00 0.00 173.24 174.87 2wnl h GLY 151 N -1.26 0.00 1.18 7.32 0.00 -0.82 -0.38 103.07 109.11 2wnl h GLY 151 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2wnl h GLY 151 CO 0.35 0.00 -0.23 0.69 0.00 0.00 0.00 176.54 177.35 2wnl n PHE 152 N -2.71 0.00 -0.06 5.60 0.99 -1.26 -4.04 117.46 115.98 2wnl n PHE 152 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.35 2wnl n PHE 152 Cb 0.24 -0.29 -0.04 0.00 -1.00 0.00 0.00 39.48 38.39 2wnl n PHE 152 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2wnl n GLU 153 N -1.27 0.25 -4.03 -1.08 1.02 -0.85 -4.22 120.64 110.45 2wnl n GLU 153 Ca 0.09 0.09 -0.31 0.00 -0.02 0.00 0.00 57.16 57.02 2wnl n GLU 153 Cb 0.32 -0.98 -0.16 0.00 -0.02 0.00 0.00 31.44 30.60 2wnl n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wnl s ILE 154 N -2.21 1.73 -0.43 -3.67 1.01 -0.21 -0.75 121.20 116.67 2wnl s ILE 154 Ca -0.15 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 2wnl s ILE 154 Cb 0.05 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.85 2wnl s ILE 154 CO 0.21 0.33 0.46 -0.62 0.00 0.00 0.00 174.94 175.32 2wnl s ASP 155 N 1.39 6.20 0.36 3.58 -1.08 0.64 -4.04 116.67 123.72 2wnl s ASP 155 Ca 0.02 -0.68 -0.26 0.00 -0.52 0.00 0.00 52.55 51.10 2wnl s ASP 155 Cb -0.15 -2.23 -0.09 0.00 -1.46 0.00 0.00 42.92 38.99 2wnl s ASP 155 CO -0.10 -0.61 1.09 -0.76 0.52 0.00 0.00 175.17 175.31 2wnl s LEU 156 N 2.19 4.28 0.09 -1.34 1.43 -1.26 -0.96 118.68 123.10 2wnl s LEU 156 Ca 0.13 2.17 -0.10 0.00 -1.03 0.00 0.00 54.13 55.29 2wnl s LEU 156 Cb -0.17 -3.98 0.01 0.00 0.03 0.00 0.00 46.19 42.07 2wnl s LEU 156 CO 0.14 -0.42 0.23 -0.54 0.23 0.00 0.00 176.35 175.99 2wnl s LYS 157 N -2.13 0.86 0.04 1.70 1.02 -0.35 -4.91 119.74 115.97 2wnl s LYS 157 Ca 0.54 -0.85 0.07 0.00 0.02 0.00 0.00 55.97 55.75 2wnl s LYS 157 Cb -0.27 0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 2wnl s LYS 157 CO 0.34 -0.28 -0.20 0.95 -0.92 0.00 0.00 175.35 175.24 2wnl s THR 158 N -3.61 1.61 0.15 2.17 -4.23 -1.26 0.22 115.64 110.69 2wnl s THR 158 Ca 0.03 -1.17 -0.03 0.00 -1.18 0.00 0.00 61.69 59.34 2wnl s THR 158 Cb 0.03 -1.40 -0.14 0.00 1.34 0.00 0.00 72.50 72.33 2wnl s THR 158 CO -0.10 0.19 1.37 0.44 -0.54 0.00 0.00 174.62 175.98 2wnl h ASP 159 N 4.90 0.50 -5.15 3.99 3.32 -1.97 -3.47 116.42 118.54 2wnl h ASP 159 Ca -0.42 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.19 2wnl h ASP 159 Cb 1.16 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.43 2wnl h ASP 159 CO 0.44 1.14 -0.24 0.28 -1.72 0.00 0.00 179.24 179.14 2wnl s THR 160 N -3.44 0.10 -2.23 0.35 -1.32 -1.26 -5.05 115.64 102.79 2wnl s THR 160 Ca -0.06 -1.02 0.23 0.00 -1.21 0.00 0.00 61.69 59.63 2wnl s THR 160 Cb 0.10 -1.42 0.55 0.00 -1.51 0.00 0.00 72.50 70.22 2wnl s THR 160 CO 0.85 -0.44 1.48 -0.90 -2.21 0.00 0.00 174.62 173.41 2wnl n ASP 161 N -0.16 3.75 -4.61 8.08 5.75 -1.26 -4.83 116.55 123.27 2wnl n ASP 161 Ca -0.13 -2.00 -0.38 0.00 -0.01 0.00 0.00 54.79 52.27 2wnl n ASP 161 Cb 0.63 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 40.23 2wnl n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2wnl s GLN 162 N -1.23 3.98 0.26 0.11 -1.52 -1.26 -0.36 119.66 119.64 2wnl s GLN 162 Ca 0.45 -0.27 -0.29 0.00 -1.95 0.00 0.00 55.36 53.29 2wnl s GLN 162 Cb 0.25 -3.63 -0.09 0.00 -0.22 0.00 0.00 33.01 29.31 2wnl s GLN 162 CO 0.33 -0.13 1.24 0.08 -0.25 0.00 0.00 175.29 176.55 2wnl s VAL 163 N 1.62 3.18 -0.25 1.09 1.01 -0.70 -4.87 120.40 121.48 2wnl s VAL 163 Ca 0.08 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 2wnl s VAL 163 Cb -0.15 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2wnl s VAL 163 CO 0.09 0.22 1.35 -0.62 0.00 0.00 0.00 175.10 176.15 2wnl s ASP 164 N -0.28 6.68 -0.14 3.32 3.68 -1.01 -4.88 116.67 124.05 2wnl s ASP 164 Ca 0.50 1.39 0.15 0.00 2.13 0.00 0.00 52.55 56.73 2wnl s ASP 164 Cb -0.36 -2.54 0.51 0.00 -1.45 0.00 0.00 42.92 39.08 2wnl s ASP 164 CO 0.43 -1.04 1.41 0.18 0.13 0.00 0.00 175.17 176.29 2wnl n LEU 165 N 7.53 3.82 0.21 -1.34 4.77 -1.26 -2.46 117.00 128.28 2wnl n LEU 165 Ca 0.15 -2.73 0.10 0.00 -0.03 0.00 0.00 56.01 53.49 2wnl n LEU 165 Cb 0.46 -0.48 0.36 0.00 -2.33 0.00 0.00 43.42 41.43 2wnl n LEU 165 CO 0.62 0.69 0.76 0.77 -1.33 0.00 0.00 177.39 178.90 2wnl h SER 166 N 2.13 0.00 -0.37 -1.43 4.64 -1.90 -2.85 113.55 113.78 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 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2wnl h SER 166 CO 0.19 0.22 0.00 -1.20 -0.87 0.00 0.00 176.83 175.17 2wnl n SER 167 N -3.29 4.39 -4.71 4.97 7.64 -1.26 -5.00 113.62 116.36 2wnl n SER 167 Ca 0.01 -2.92 -0.42 0.00 1.01 0.00 0.00 58.87 56.55 2wnl n SER 167 Cb 0.49 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 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 -2.67 3.34 -0.06 1.43 5.04 -1.08 -4.50 117.35 118.84 2wnl s TYR 168 Ca 0.45 1.12 -0.30 0.00 -2.44 0.00 0.00 57.07 55.90 2wnl s TYR 168 Cb 0.35 -3.56 -0.08 0.00 0.35 0.00 0.00 41.96 39.02 2wnl s TYR 168 CO 0.12 -1.85 2.04 0.98 -1.34 0.00 0.00 175.55 175.50 2wnl n TYR 169 N 3.90 2.31 0.23 4.97 9.36 0.19 -4.86 117.16 133.26 2wnl n TYR 169 Ca 0.10 -0.25 0.07 0.00 3.32 0.00 0.00 57.90 61.14 2wnl n TYR 169 Cb 0.44 -2.76 0.53 0.00 -0.63 0.00 0.00 39.34 36.92 2wnl n TYR 169 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wnl h ALA 170 N 11.76 1.52 -0.30 2.98 0.00 -1.90 -2.97 119.26 130.34 2wnl h ALA 170 Ca -0.47 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 2wnl h ALA 170 Cb 1.25 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2wnl h ALA 170 CO 0.95 0.26 0.01 0.43 0.00 0.00 0.00 179.25 180.89 2wnl n SER 171 N -4.09 3.64 -4.63 0.00 7.64 -1.26 -5.03 113.62 109.90 2wnl n SER 171 Ca -0.02 -3.18 -0.32 0.00 1.01 0.00 0.00 58.87 56.36 2wnl n SER 171 Cb 0.28 -0.57 0.15 0.00 -1.01 0.00 0.00 64.21 63.06 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 -0.64 0.01 0.22 6.43 2.88 -1.12 -4.91 113.62 116.49 2wnl n SER 172 Ca 0.25 0.44 0.06 0.00 -1.33 0.00 0.00 58.87 58.29 2wnl n SER 172 Cb 0.95 -1.43 0.51 0.00 -0.75 0.00 0.00 64.21 63.49 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 -1.64 0.00 -5.70 -1.46 1.79 -1.92 -3.44 116.57 104.20 2wnl h LYS 173 Ca -0.44 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.36 2wnl h LYS 173 Cb 1.28 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.66 2wnl h LYS 173 CO 0.41 0.23 -0.80 0.71 -1.08 0.00 0.00 179.45 178.91 2wnl s TYR 174 N -4.38 2.70 -0.09 -1.35 1.51 -1.26 -1.54 117.35 112.93 2wnl s TYR 174 Ca -0.03 -0.57 -0.15 0.00 -1.01 0.00 0.00 57.07 55.31 2wnl s TYR 174 Cb 0.15 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 2wnl s TYR 174 CO 0.68 -0.13 0.38 -2.00 -1.11 0.00 0.00 175.55 173.37 2wnl s GLU 175 N -0.02 4.12 -0.20 -0.62 2.12 0.21 -4.81 118.70 119.51 2wnl s GLU 175 Ca -0.05 0.30 -0.19 0.00 0.36 0.00 0.00 54.97 55.40 2wnl s GLU 175 Cb -0.14 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 2wnl s GLU 175 CO 0.04 0.40 0.54 0.42 -0.54 0.00 0.00 175.26 176.13 2wnl s ILE 176 N -0.10 5.09 -0.18 -3.70 -1.09 -1.26 -0.90 121.20 119.05 2wnl s ILE 176 Ca 0.22 1.01 -0.14 0.00 -2.23 0.00 0.00 60.65 59.51 2wnl s ILE 176 Cb -0.15 -3.86 -0.21 0.00 -1.58 0.00 0.00 42.46 36.65 2wnl s ILE 176 CO 0.09 0.17 0.21 0.18 -1.23 0.00 0.00 174.94 174.36 2wnl n LEU 177 N 4.80 2.26 -3.63 2.97 4.77 0.22 -4.98 117.00 123.41 2wnl n LEU 177 Ca -0.04 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 2wnl n LEU 177 Cb 0.50 -1.02 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 2wnl n LEU 177 CO 0.42 0.58 0.19 -0.94 -1.33 0.00 0.00 177.39 176.31 2wnl s SER 178 N -6.97 -0.31 -0.26 -1.43 1.04 -0.87 -4.98 113.70 99.92 2wnl s SER 178 Ca -0.27 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 2wnl s SER 178 Cb 0.07 0.46 0.13 0.00 0.10 0.00 0.00 66.02 66.78 2wnl s SER 178 CO 0.66 -0.73 0.31 0.00 0.98 0.00 0.00 173.24 174.46 2wnl s ALA 179 N -2.83 -0.64 0.23 5.32 0.00 -1.26 -0.35 121.76 122.23 2wnl s ALA 179 Ca -0.03 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.12 2wnl s ALA 179 Cb -0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 2wnl s ALA 179 CO -0.05 -1.52 0.05 0.95 0.00 0.00 0.00 175.76 175.19 2wnl s THR 180 N 2.41 3.83 -0.32 0.00 -4.23 -0.46 -1.72 115.64 115.15 2wnl s THR 180 Ca 0.10 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 2wnl s THR 180 Cb -0.14 -3.01 0.10 0.00 1.34 0.00 0.00 72.50 70.79 2wnl s THR 180 CO -0.25 -0.26 0.12 0.00 -0.54 0.00 0.00 174.62 173.69 2wnl s GLN 181 N -3.43 0.71 -0.17 3.99 -2.07 0.51 -1.57 119.66 117.63 2wnl s GLN 181 Ca 0.30 -1.12 -0.04 0.00 -1.82 0.00 0.00 55.36 52.68 2wnl s GLN 181 Cb -0.08 -1.92 -0.03 0.00 -1.09 0.00 0.00 33.01 29.90 2wnl s GLN 181 CO 0.21 -1.02 -0.02 0.99 -1.32 0.00 0.00 175.29 174.13 2wnl s THR 182 N 1.52 3.95 0.24 3.63 2.01 -0.80 -4.22 115.64 121.96 2wnl s THR 182 Ca 0.11 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 2wnl s THR 182 Cb -0.18 -2.75 -0.09 0.00 0.01 0.00 0.00 72.50 69.49 2wnl s THR 182 CO -0.23 0.47 1.00 -0.60 -0.69 0.00 0.00 174.62 174.58 2wnl s ARG 183 N 0.58 4.76 -0.00 4.92 3.52 -1.26 -0.06 118.95 131.40 2wnl s ARG 183 Ca -0.02 1.60 0.03 0.00 -0.13 0.00 0.00 55.73 57.21 2wnl s ARG 183 Cb -0.14 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2wnl s ARG 183 CO 0.02 0.36 -0.10 -0.65 -0.81 0.00 0.00 175.30 174.13 2wnl s GLN 184 N -1.09 0.77 -0.10 5.12 -0.21 0.14 -4.95 119.66 119.33 2wnl s GLN 184 Ca 0.43 -0.37 0.03 0.00 0.02 0.00 0.00 55.36 55.47 2wnl s GLN 184 Cb -0.28 -0.74 0.01 0.00 1.00 0.00 0.00 33.01 33.00 2wnl s GLN 184 CO 0.35 0.20 -0.18 0.08 -2.12 0.00 0.00 175.29 173.61 2wnl s VAL 185 N -0.28 1.70 0.06 1.09 1.01 -1.26 -2.07 120.40 120.66 2wnl s VAL 185 Ca 0.03 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2wnl s VAL 185 Cb -0.04 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2wnl s VAL 185 CO -0.00 0.48 -0.09 -1.58 0.00 0.00 0.00 175.10 173.91 2wnl s GLN 186 N 0.70 0.67 0.05 2.72 0.74 -0.39 -4.94 119.66 119.21 2wnl s GLN 186 Ca -0.12 -0.95 0.08 0.00 0.05 0.00 0.00 55.36 54.41 2wnl s GLN 186 Cb -0.16 -0.36 -0.03 0.00 1.10 0.00 0.00 33.01 33.56 2wnl s GLN 186 CO 0.03 0.05 -0.22 -1.01 -0.55 0.00 0.00 175.29 173.59 2wnl s HIS 187 N -1.98 1.89 -0.08 1.67 3.76 -1.26 -0.85 115.29 118.43 2wnl s HIS 187 Ca -0.02 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.54 2wnl s HIS 187 Cb -0.06 -1.12 0.00 0.00 1.11 0.00 0.00 32.58 32.52 2wnl s HIS 187 CO -0.01 0.12 -0.20 0.71 -0.85 0.00 0.00 174.74 174.51 2wnl s TYR 188 N -0.85 2.16 0.36 1.40 2.02 -1.26 -5.03 117.35 116.15 2wnl s TYR 188 Ca 0.08 -0.84 0.18 0.00 -0.37 0.00 0.00 57.07 56.11 2wnl s TYR 188 Cb -0.09 -1.47 1.23 0.00 -0.40 0.00 0.00 41.96 41.23 2wnl s TYR 188 CO 0.02 -0.35 1.60 0.66 -1.57 0.00 0.00 175.55 175.91 2wnl h SER 189 N 6.74 0.27 -0.13 2.29 4.64 -2.00 0.23 113.55 125.59 2wnl h SER 189 Ca -0.24 0.25 0.04 0.00 -0.47 0.00 0.00 61.79 61.37 2wnl h SER 189 Cb 1.22 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 2wnl h SER 189 CO 0.47 -0.37 0.10 0.00 -0.87 0.00 0.00 176.83 176.16 2wnl n PRO 192 N 1.99 1.46 -4.40 0.00 -0.04 -1.26 -4.38 135.00 128.36 2wnl n PRO 192 Ca -0.19 -0.74 -0.28 0.00 -0.04 0.00 0.00 63.50 62.25 2wnl n PRO 192 Cb 0.56 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 2wnl n PRO 192 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2wnl s GLU 193 N -2.05 1.44 0.51 0.54 1.03 -1.26 -5.09 118.70 113.81 2wnl s GLU 193 Ca 0.38 -1.42 -0.17 0.00 0.03 0.00 0.00 54.97 53.79 2wnl s GLU 193 Cb 0.21 -1.84 -0.08 0.00 -0.80 0.00 0.00 34.13 31.62 2wnl s GLU 193 CO 0.36 0.42 0.99 -1.25 -1.33 0.00 0.00 175.26 174.45 2wnl s PRO 194 N -2.34 3.91 -0.13 -4.83 0.04 -1.26 -4.61 135.00 125.77 2wnl s PRO 194 Ca 0.17 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.23 2wnl s PRO 194 Cb -0.09 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.34 2wnl s PRO 194 CO 0.08 -0.31 -0.19 0.71 0.04 0.00 0.00 177.00 177.33 2wnl s TYR 195 N -2.55 2.40 0.04 0.56 2.02 -0.03 -0.33 117.35 119.45 2wnl s TYR 195 Ca 0.60 -1.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.12 2wnl s TYR 195 Cb -0.11 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 2wnl s TYR 195 CO 0.30 -0.59 -0.06 0.42 -1.57 0.00 0.00 175.55 174.05 2wnl s ILE 196 N 0.97 3.70 0.21 2.71 -1.09 -1.26 -1.26 121.20 125.18 2wnl s ILE 196 Ca -0.05 -0.89 -0.18 0.00 -2.23 0.00 0.00 60.65 57.30 2wnl s ILE 196 Cb -0.15 -2.66 0.03 0.00 -1.58 0.00 0.00 42.46 38.10 2wnl s ILE 196 CO -0.04 0.29 0.54 1.51 -1.23 0.00 0.00 174.94 176.02 2wnl s ASP 197 N -1.73 -0.26 -0.20 3.58 3.84 -0.88 -4.67 116.67 116.35 2wnl s ASP 197 Ca 0.20 -0.50 -0.00 0.00 -0.00 0.00 0.00 52.55 52.24 2wnl s ASP 197 Cb -0.11 0.59 0.01 0.00 -1.38 0.00 0.00 42.92 42.04 2wnl s ASP 197 CO 0.11 -1.08 -0.15 -0.69 -0.00 0.00 0.00 175.17 173.36 2wnl s VAL 198 N -3.88 2.46 -0.43 2.11 1.01 -0.35 -0.68 120.40 120.63 2wnl s VAL 198 Ca 0.10 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2wnl s VAL 198 Cb -0.01 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.31 2wnl s VAL 198 CO -0.02 0.48 0.47 0.21 0.00 0.00 0.00 175.10 176.24 2wnl s ASN 199 N 1.34 6.20 -0.43 3.32 3.04 0.91 -1.69 114.94 127.64 2wnl s ASN 199 Ca 0.05 -0.72 -0.27 0.00 0.04 0.00 0.00 52.86 51.96 2wnl s ASN 199 Cb -0.14 -2.23 0.02 0.00 -1.54 0.00 0.00 41.25 37.36 2wnl s ASN 199 CO -0.10 -0.63 0.98 -0.22 -3.04 0.00 0.00 177.10 174.09 2wnl s LEU 200 N 2.20 3.91 -0.14 3.21 2.96 0.13 -1.90 118.68 129.06 2wnl s LEU 200 Ca 0.13 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2wnl s LEU 200 Cb -0.17 -3.32 -0.00 0.00 0.50 0.00 0.00 46.19 43.19 2wnl s LEU 200 CO 0.13 -1.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.28 2wnl s VAL 201 N 3.82 2.55 -0.16 1.68 1.01 -0.61 -0.73 120.40 127.96 2wnl s VAL 201 Ca 0.40 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2wnl s VAL 201 Cb -0.10 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2wnl s VAL 201 CO 0.24 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 175.08 2wnl s VAL 202 N 0.64 1.40 -0.25 2.92 1.01 0.60 -1.36 120.40 125.36 2wnl s VAL 202 Ca -0.09 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 2wnl s VAL 202 Cb -0.16 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2wnl s VAL 202 CO 0.03 0.28 0.22 -0.54 0.00 0.00 0.00 175.10 175.09 2wnl s LYS 203 N 1.53 4.04 0.12 2.72 1.02 0.53 -1.81 119.74 127.89 2wnl s LYS 203 Ca 0.02 -0.20 -0.08 0.00 0.02 0.00 0.00 55.97 55.74 2wnl s LYS 203 Cb -0.14 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 2wnl s LYS 203 CO -0.09 -0.05 0.20 -0.59 -0.92 0.00 0.00 175.35 173.90 2wnl s PHE 204 N 1.37 0.33 0.16 3.18 -0.12 -0.47 0.70 117.98 123.13 2wnl s PHE 204 Ca 0.09 -0.74 -0.13 0.00 -0.05 0.00 0.00 56.93 56.10 2wnl s PHE 204 Cb -0.15 -0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.14 2wnl s PHE 204 CO 0.07 -0.60 0.37 -0.98 -0.05 0.00 0.00 175.22 174.04 2wnl s ARG 205 N -3.92 1.17 0.17 1.99 1.70 -0.08 -0.27 118.95 119.71 2wnl s ARG 205 Ca 0.11 -0.95 -0.33 0.00 -0.47 0.00 0.00 55.73 54.09 2wnl s ARG 205 Cb 0.05 0.44 -0.13 0.00 -0.57 0.00 0.00 34.95 34.74 2wnl s ARG 205 CO -0.06 -0.45 1.66 0.39 -1.08 0.00 0.00 175.30 175.76 2wnl n GLU 206 N -0.24 2.46 -2.80 3.89 1.02 0.36 0.65 120.64 125.99 2wnl n GLU 206 Ca -0.11 0.89 -0.40 0.00 -0.02 0.00 0.00 57.16 57.52 2wnl n GLU 206 Cb 0.63 -2.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.29 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 1.18 4.78 0.00 3.49 3.52 -0.59 -4.74 118.95 126.58 2wnl s ARG 207 Ca 0.78 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.79 2wnl s ARG 207 Cb -0.59 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 29.57 2wnl s ARG 207 CO 0.36 0.51 0.00 2.89 -0.81 0.00 0.00 175.30 178.24