#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa5 s ALA 1 N 0.00 3.36 0.45 -5.12 0.00 -1.26 -5.01 121.76 114.17 2wa5 s ALA 1 Ca 0.00 0.72 -0.25 0.00 0.00 0.00 0.00 51.96 52.43 2wa5 s ALA 1 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 2wa5 s ALA 1 CO 0.00 0.03 1.36 -2.30 0.00 0.00 0.00 175.76 174.85 2wa5 n PRO 2 N 1.62 2.09 -3.61 0.00 -0.02 -1.26 -5.00 135.00 128.82 2wa5 n PRO 2 Ca -0.01 0.75 -0.39 0.00 -2.02 0.00 0.00 63.50 61.83 2wa5 n PRO 2 Cb 0.46 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 2wa5 n PRO 2 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wa5 s VAL 3 N -1.20 4.85 0.53 -1.45 1.01 -1.26 -5.08 120.40 117.80 2wa5 s VAL 3 Ca 0.62 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2wa5 s VAL 3 Cb -0.47 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2wa5 s VAL 3 CO 0.57 0.05 0.77 0.42 0.00 0.00 0.00 175.10 176.91 2wa5 s THR 4 N 1.65 3.03 0.24 3.92 -4.23 -1.26 -4.97 115.64 114.01 2wa5 s THR 4 Ca 0.05 -0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 59.93 2wa5 s THR 4 Cb -0.17 -3.14 0.20 0.00 1.34 0.00 0.00 72.50 70.73 2wa5 s THR 4 CO 0.08 -0.10 1.84 -0.08 -0.54 0.00 0.00 174.62 175.81 2wa5 h GLU 5 N 0.11 0.88 -0.49 3.99 4.81 -2.00 -2.00 114.58 119.88 2wa5 h GLU 5 Ca -0.43 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.68 2wa5 h GLU 5 Cb 1.28 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2wa5 h GLU 5 CO 0.54 0.58 0.03 -0.22 -0.73 0.00 0.00 179.01 179.21 2wa5 h LYS 6 N 0.90 0.79 -0.33 1.92 3.64 -1.99 -1.65 116.57 119.86 2wa5 h LYS 6 Ca 0.37 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2wa5 h LYS 6 Cb 0.20 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2wa5 h LYS 6 CO -0.19 0.77 0.22 -0.44 -2.27 0.00 0.00 179.45 177.55 2wa5 h ASP 7 N 0.74 0.38 -0.21 4.20 3.32 -1.75 -0.05 116.42 123.06 2wa5 h ASP 7 Ca 0.15 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2wa5 h ASP 7 Cb 0.41 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2wa5 h ASP 7 CO 0.01 0.28 0.08 -0.07 -1.72 0.00 0.00 179.24 177.82 2wa5 h LEU 8 N 0.45 0.29 -1.14 1.55 3.38 -1.32 -1.03 115.31 117.48 2wa5 h LEU 8 Ca 0.12 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2wa5 h LEU 8 Cb -0.05 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2wa5 h LEU 8 CO -0.03 0.38 0.57 0.00 0.09 0.00 0.00 178.44 179.45 2wa5 h ALA 9 N 0.92 1.38 0.00 1.53 0.00 -1.13 -2.38 119.26 119.57 2wa5 h ALA 9 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wa5 h ALA 9 Cb 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wa5 h ALA 9 CO -0.01 0.58 -0.05 0.93 0.00 0.00 0.00 179.25 180.71 2wa5 h GLU 10 N 1.18 0.00 -2.29 0.00 5.08 -0.81 -3.25 114.58 114.48 2wa5 h GLU 10 Ca 0.32 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 58.05 2wa5 h GLU 10 Cb -0.13 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.72 2wa5 h GLU 10 CO -0.07 0.00 -0.35 -3.47 -1.00 0.00 0.00 179.01 174.12 2wa5 n ASP 11 N -2.33 4.73 -4.64 1.42 2.03 -0.41 -5.07 116.55 112.29 2wa5 n ASP 11 Ca 0.05 -3.61 -0.41 0.00 0.52 0.00 0.00 54.79 51.34 2wa5 n ASP 11 Cb 0.44 -0.70 0.01 0.00 -0.72 0.00 0.00 41.12 40.15 2wa5 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wa5 n ALA 12 N 0.18 0.59 -0.06 -1.67 0.00 -1.21 -4.86 120.51 113.48 2wa5 n ALA 12 Ca 0.32 0.25 0.24 0.00 0.00 0.00 0.00 53.44 54.26 2wa5 n ALA 12 Cb 0.38 -2.15 0.72 0.00 0.00 0.00 0.00 19.45 18.40 2wa5 n ALA 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wa5 h PRO 13 N 1.77 0.00 -0.02 0.00 0.11 -1.92 -0.51 132.00 131.43 2wa5 h PRO 13 Ca -0.45 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 2wa5 h PRO 13 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 2wa5 h PRO 13 CO 0.58 0.00 0.02 0.11 -0.21 0.00 0.00 178.00 178.50 2wa5 h TRP 14 N 0.00 0.00 -0.30 0.65 5.08 -1.89 -2.73 115.95 116.75 2wa5 h TRP 14 Ca 0.32 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.20 2wa5 h TRP 14 Cb 1.41 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.56 2wa5 h TRP 14 CO 0.00 0.00 -0.18 0.87 -1.28 0.00 0.00 178.44 177.85 2wa5 h LYS 15 N 0.00 0.65 -0.36 0.12 1.57 -1.42 0.21 116.57 117.35 2wa5 h LYS 15 Ca 0.01 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 2wa5 h LYS 15 Cb 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2wa5 h LYS 15 CO -0.00 0.89 0.12 -0.22 -0.57 0.00 0.00 179.45 179.67 2wa5 h LYS 16 N 0.40 0.55 -0.25 3.15 3.64 -1.69 -1.35 116.57 121.02 2wa5 h LYS 16 Ca 0.06 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2wa5 h LYS 16 Cb 0.71 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2wa5 h LYS 16 CO 0.05 0.56 0.10 0.82 -2.27 0.00 0.00 179.45 178.71 2wa5 h ILE 17 N 0.43 0.96 -0.31 2.00 2.04 -1.28 0.88 117.51 122.23 2wa5 h ILE 17 Ca 0.12 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 2wa5 h ILE 17 Cb 0.23 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2wa5 h ILE 17 CO -0.01 0.04 0.04 -0.61 0.00 0.00 0.00 178.15 177.61 2wa5 h GLN 18 N 0.22 0.52 -0.32 2.37 4.15 -0.55 0.33 115.11 121.83 2wa5 h GLN 18 Ca 0.11 -0.15 0.02 0.00 0.77 0.00 0.00 58.65 59.40 2wa5 h GLN 18 Cb 0.06 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2wa5 h GLN 18 CO -0.10 0.63 0.17 0.37 -1.93 0.00 0.00 178.83 177.96 2wa5 h GLN 19 N 0.33 0.34 -0.19 1.69 4.15 -1.12 0.68 115.11 120.98 2wa5 h GLN 19 Ca 0.09 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.53 2wa5 h GLN 19 Cb 0.37 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 2wa5 h GLN 19 CO 0.01 0.22 -0.07 -0.91 -1.93 0.00 0.00 178.83 176.15 2wa5 h ASN 20 N 0.35 -0.24 -0.15 -0.69 2.35 -0.64 -1.21 115.58 115.35 2wa5 h ASN 20 Ca 0.13 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2wa5 h ASN 20 Cb 0.03 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2wa5 h ASN 20 CO -0.08 -0.09 0.01 0.74 -1.65 0.00 0.00 177.43 176.36 2wa5 h THR 21 N -0.03 1.24 -0.57 2.81 2.02 -0.74 -2.14 112.91 115.49 2wa5 h THR 21 Ca 0.10 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.50 2wa5 h THR 21 Cb 0.18 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 2wa5 h THR 21 CO -0.22 0.23 0.38 -0.26 0.37 0.00 0.00 175.52 176.02 2wa5 h PHE 22 N 0.01 0.72 -0.23 3.16 -1.00 -0.82 -1.59 116.94 117.20 2wa5 h PHE 22 Ca 0.04 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 2wa5 h PHE 22 Cb 0.34 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2wa5 h PHE 22 CO 0.03 0.46 0.01 1.15 -1.61 0.00 0.00 178.31 178.35 2wa5 h THR 23 N 0.78 1.25 -0.76 -1.55 2.02 -1.00 -1.60 112.91 112.04 2wa5 h THR 23 Ca 0.21 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 2wa5 h THR 23 Cb -0.09 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2wa5 h THR 23 CO -0.05 0.26 0.37 0.03 0.37 0.00 0.00 175.52 176.51 2wa5 h ARG 24 N 0.18 1.09 0.02 6.66 3.08 -1.14 0.22 114.38 124.49 2wa5 h ARG 24 Ca 0.07 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.97 2wa5 h ARG 24 Cb 0.38 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2wa5 h ARG 24 CO 0.01 0.85 -0.11 2.35 -1.07 0.00 0.00 179.97 181.99 2wa5 h TRP 25 N 1.07 -0.29 -0.51 3.04 7.01 -1.23 0.13 115.95 125.17 2wa5 h TRP 25 Ca 0.26 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.36 2wa5 h TRP 25 Cb 0.11 0.13 -0.08 0.00 -2.10 0.00 0.00 29.16 27.22 2wa5 h TRP 25 CO 0.01 -0.17 0.07 0.00 -2.79 0.00 0.00 178.44 175.56 2wa5 h ASN 27 N 0.20 0.78 -0.75 0.00 2.35 -0.63 -0.30 115.58 117.24 2wa5 h ASN 27 Ca 0.26 -0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2wa5 h ASN 27 Cb 0.37 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 2wa5 h ASN 27 CO -0.36 0.79 0.49 -0.33 -1.65 0.00 0.00 177.43 176.37 2wa5 h GLU 28 N 0.80 0.87 0.00 0.81 4.39 -0.67 -1.37 114.58 119.41 2wa5 h GLU 28 Ca 0.17 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.59 2wa5 h GLU 28 Cb 0.34 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2wa5 h GLU 28 CO 0.00 0.58 -1.21 0.45 -1.16 0.00 0.00 179.01 177.67 2wa5 h HIS 29 N 0.90 0.00 0.00 4.33 3.86 -1.12 -3.34 115.15 119.78 2wa5 h HIS 29 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2wa5 h HIS 29 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2wa5 h HIS 29 CO -0.00 0.98 -0.24 -0.07 0.86 0.00 0.00 177.93 179.46 2wa5 h LEU 30 N 0.00 0.00 -1.23 2.43 3.38 -0.85 -3.36 115.31 115.67 2wa5 h LEU 30 Ca -0.10 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2wa5 h LEU 30 Cb 1.83 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.53 2wa5 h LEU 30 CO 0.11 0.01 0.53 0.07 0.09 0.00 0.00 178.44 179.26 2wa5 h LYS 31 N 0.00 0.96 0.00 1.13 2.10 -1.34 -1.07 116.57 118.35 2wa5 h LYS 31 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2wa5 h LYS 31 Cb 0.91 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2wa5 h LYS 31 CO 0.00 0.64 0.00 0.00 -2.00 0.00 0.00 179.45 178.09 2wa5 n VAL 33 N -2.58 1.81 -3.07 0.00 0.24 -0.43 -4.98 118.33 109.31 2wa5 n VAL 33 Ca -0.01 -1.47 -0.19 0.00 -2.04 0.00 0.00 64.34 60.63 2wa5 n VAL 33 Cb 0.14 0.05 0.04 0.00 -1.47 0.00 0.00 33.84 32.61 2wa5 n VAL 33 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2wa5 n ASN 34 N 0.10 -5.45 -4.35 -1.34 5.15 -0.61 -5.02 115.26 103.74 2wa5 n ASN 34 Ca 0.19 -0.31 -0.18 0.00 -0.60 0.00 0.00 54.58 53.67 2wa5 n ASN 34 Cb 0.74 -4.20 -0.10 0.00 -0.53 0.00 0.00 39.78 35.69 2wa5 n ASN 34 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wa5 s LYS 35 N -5.71 1.35 -0.08 1.20 1.02 -1.09 -5.05 119.74 111.38 2wa5 s LYS 35 Ca 0.34 -1.64 -0.31 0.00 0.02 0.00 0.00 55.97 54.38 2wa5 s LYS 35 Cb -0.15 -0.94 0.08 0.00 -0.52 0.00 0.00 37.83 36.30 2wa5 s LYS 35 CO 0.42 0.07 0.74 0.50 -0.92 0.00 0.00 175.35 176.15 2wa5 s ARG 36 N -3.73 0.97 -0.20 1.68 3.52 -1.26 -3.76 118.95 116.17 2wa5 s ARG 36 Ca 0.25 0.27 -0.05 0.00 -0.13 0.00 0.00 55.73 56.06 2wa5 s ARG 36 Cb 0.02 0.46 -0.02 0.00 -1.56 0.00 0.00 34.95 33.85 2wa5 s ARG 36 CO 0.07 -0.30 -0.00 0.42 -0.81 0.00 0.00 175.30 174.68 2wa5 s ILE 37 N -1.12 3.91 -0.10 4.11 1.01 -1.26 -4.99 121.20 122.77 2wa5 s ILE 37 Ca -0.09 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.26 2wa5 s ILE 37 Cb -0.00 -2.77 -0.24 0.00 0.01 0.00 0.00 42.46 39.46 2wa5 s ILE 37 CO 0.08 0.43 0.45 0.61 0.00 0.00 0.00 174.94 176.51 2wa5 n GLY 38 N 4.25 -0.75 2.71 6.18 0.00 -1.26 -4.90 105.19 111.42 2wa5 n GLY 38 Ca -0.17 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 2wa5 n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wa5 s ASN 39 N -6.54 1.64 0.49 1.61 3.84 -1.26 -5.04 114.94 109.68 2wa5 s ASN 39 Ca -0.15 -0.31 0.15 0.00 0.21 0.00 0.00 52.86 52.76 2wa5 s ASN 39 Cb 0.07 0.17 1.16 0.00 -0.55 0.00 0.00 41.25 42.11 2wa5 s ASN 39 CO 0.79 -0.33 2.10 0.25 -2.79 0.00 0.00 177.10 177.12 2wa5 h LEU 40 N 8.35 0.05 -1.22 3.21 5.85 -1.93 0.85 115.31 130.47 2wa5 h LEU 40 Ca -0.16 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 2wa5 h LEU 40 Cb 1.15 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2wa5 h LEU 40 CO 0.27 0.08 -0.26 -0.61 -0.34 0.00 0.00 178.44 177.58 2wa5 h GLN 41 N 0.06 0.20 0.00 1.25 4.15 -1.96 -3.34 115.11 115.46 2wa5 h GLN 41 Ca 0.01 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.17 2wa5 h GLN 41 Cb 0.08 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 2wa5 h GLN 41 CO 0.00 0.46 -1.74 0.25 -1.93 0.00 0.00 178.83 175.87 2wa5 n THR 42 N -4.16 0.74 1.23 2.39 -2.24 -0.94 -4.22 114.28 107.07 2wa5 n THR 42 Ca -0.01 -0.43 0.14 0.00 -2.27 0.00 0.00 64.05 61.48 2wa5 n THR 42 Cb 0.36 -0.76 0.52 0.00 -2.10 0.00 0.00 70.33 68.36 2wa5 n THR 42 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wa5 n ASP 43 N -2.47 0.41 -0.38 3.42 8.00 0.25 -2.40 116.55 123.38 2wa5 n ASP 43 Ca -0.18 -0.30 0.10 0.00 0.71 0.00 0.00 54.79 55.11 2wa5 n ASP 43 Cb 0.83 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.83 2wa5 n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wa5 n LEU 44 N -1.16 1.75 0.23 0.64 4.77 -1.26 -4.49 117.00 117.47 2wa5 n LEU 44 Ca 0.11 -0.71 0.09 0.00 -0.03 0.00 0.00 56.01 55.46 2wa5 n LEU 44 Cb 0.31 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.93 2wa5 n LEU 44 CO 0.27 0.34 0.84 0.28 -1.33 0.00 0.00 177.39 177.79 2wa5 h SER 45 N 1.86 0.00 0.11 -1.43 0.02 -1.67 -0.35 113.55 112.09 2wa5 h SER 45 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wa5 h SER 45 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2wa5 h SER 45 CO 0.00 0.23 -0.07 -0.90 -1.14 0.00 0.00 176.83 174.95 2wa5 n ASP 46 N -3.68 0.97 0.00 3.07 5.68 -1.26 -4.08 116.55 117.24 2wa5 n ASP 46 Ca -0.01 -1.12 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 2wa5 n ASP 46 Cb 0.35 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 2wa5 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wa5 n GLY 47 N 1.20 3.17 0.13 6.12 0.00 -0.14 -4.61 105.19 111.06 2wa5 n GLY 47 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2wa5 n GLY 47 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wa5 h LEU 48 N 0.00 0.32 -0.66 0.99 3.38 -1.90 0.14 115.31 117.58 2wa5 h LEU 48 Ca 0.00 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 2wa5 h LEU 48 Cb 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2wa5 h LEU 48 CO 0.00 0.51 -0.66 0.03 0.09 0.00 0.00 178.44 178.42 2wa5 h ARG 49 N 0.11 0.07 -0.21 1.13 3.08 -1.87 -0.82 114.38 115.86 2wa5 h ARG 49 Ca 0.06 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2wa5 h ARG 49 Cb 0.34 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2wa5 h ARG 49 CO 0.01 0.70 0.06 1.25 -1.07 0.00 0.00 179.97 180.91 2wa5 h LEU 50 N 0.05 0.32 -0.51 3.04 5.85 -1.77 -1.28 115.31 121.01 2wa5 h LEU 50 Ca -0.01 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.54 2wa5 h LEU 50 Cb 1.17 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2wa5 h LEU 50 CO 0.09 0.46 0.25 0.40 -0.34 0.00 0.00 178.44 179.29 2wa5 h ILE 51 N 0.16 0.94 -0.44 4.05 2.04 -0.59 -0.19 117.51 123.48 2wa5 h ILE 51 Ca 0.07 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.79 2wa5 h ILE 51 Cb 0.26 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2wa5 h ILE 51 CO -0.00 0.09 0.24 0.00 0.00 0.00 0.00 178.15 178.48 2wa5 h ALA 52 N 1.28 0.55 -0.53 1.87 0.00 -1.08 -1.83 119.26 119.54 2wa5 h ALA 52 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2wa5 h ALA 52 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wa5 h ALA 52 CO -0.17 -0.10 0.28 1.25 0.00 0.00 0.00 179.25 180.51 2wa5 h LEU 53 N 0.48 0.67 -0.96 0.00 5.85 -0.94 -2.30 115.31 118.10 2wa5 h LEU 53 Ca 0.18 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2wa5 h LEU 53 Cb 0.06 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2wa5 h LEU 53 CO -0.11 0.58 0.31 -0.07 -0.34 0.00 0.00 178.44 178.81 2wa5 h LEU 54 N 0.70 0.96 -0.49 2.25 3.38 -0.75 -0.82 115.31 120.54 2wa5 h LEU 54 Ca 0.18 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2wa5 h LEU 54 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2wa5 h LEU 54 CO -0.03 0.84 0.06 -0.33 0.09 0.00 0.00 178.44 179.08 2wa5 h GLU 55 N 1.04 0.83 -0.18 1.13 5.08 -1.13 -0.50 114.58 120.85 2wa5 h GLU 55 Ca 0.24 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2wa5 h GLU 55 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2wa5 h GLU 55 CO -0.02 0.84 0.03 0.28 -1.00 0.00 0.00 179.01 179.13 2wa5 h VAL 56 N 0.70 1.22 -0.59 3.13 2.07 -1.22 0.16 116.25 121.73 2wa5 h VAL 56 Ca 0.15 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 2wa5 h VAL 56 Cb 0.42 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2wa5 h VAL 56 CO 0.01 0.22 0.22 -0.07 0.02 0.00 0.00 177.57 177.97 2wa5 h LEU 57 N 0.09 0.82 0.00 2.57 3.38 -1.07 -3.13 115.31 117.97 2wa5 h LEU 57 Ca 0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2wa5 h LEU 57 Cb 0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2wa5 h LEU 57 CO 0.00 0.78 -0.68 0.77 0.09 0.00 0.00 178.44 179.41 2wa5 h SER 58 N 0.82 0.00 -5.02 -0.43 4.64 -1.09 -3.48 113.55 108.99 2wa5 h SER 58 Ca 0.19 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.11 2wa5 h SER 58 Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2wa5 h SER 58 CO -0.01 0.21 -0.61 0.00 -0.87 0.00 0.00 176.83 175.55 2wa5 n GLN 59 N -2.96 -4.68 -4.18 4.77 1.13 0.55 -5.01 117.38 107.00 2wa5 n GLN 59 Ca -0.00 0.74 -0.15 0.00 -1.94 0.00 0.00 57.00 55.65 2wa5 n GLN 59 Cb 0.64 -5.57 -0.11 0.00 0.11 0.00 0.00 30.24 25.30 2wa5 n GLN 59 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2wa5 s LYS 60 N -5.91 0.86 0.23 -1.09 1.02 -1.17 -5.06 119.74 108.62 2wa5 s LYS 60 Ca 0.38 -1.15 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 2wa5 s LYS 60 Cb -0.18 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.51 2wa5 s LYS 60 CO 0.47 0.09 0.43 1.03 -0.92 0.00 0.00 175.35 176.45 2wa5 s ARG 61 N -2.72 3.53 0.54 1.68 0.52 -1.26 -4.27 118.95 116.98 2wa5 s ARG 61 Ca 0.05 -0.29 -0.22 0.00 -0.52 0.00 0.00 55.73 54.75 2wa5 s ARG 61 Cb -0.03 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 2wa5 s ARG 61 CO 0.00 0.35 1.29 -1.33 0.02 0.00 0.00 175.30 175.64 2wa5 n MET 62 N -0.82 1.58 -0.04 3.54 2.81 -1.26 -4.93 117.12 117.99 2wa5 n MET 62 Ca -0.04 0.58 0.05 0.00 -1.81 0.00 0.00 57.70 56.48 2wa5 n MET 62 Cb 0.54 -2.49 0.07 0.00 -0.71 0.00 0.00 33.22 30.62 2wa5 n MET 62 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 2wa5 n TYR 63 N -1.08 0.12 -4.32 2.03 4.11 -1.26 -4.98 117.16 111.78 2wa5 n TYR 63 Ca 0.11 -0.15 -0.31 0.00 -0.00 0.00 0.00 57.90 57.55 2wa5 n TYR 63 Cb 0.44 -0.01 -0.10 0.00 -0.00 0.00 0.00 39.34 39.68 2wa5 n TYR 63 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2wa5 s ARG 64 N -0.86 2.44 0.56 -3.48 1.81 -1.26 -5.11 118.95 113.04 2wa5 s ARG 64 Ca 0.14 -0.83 -0.19 0.00 -1.72 0.00 0.00 55.73 53.13 2wa5 s ARG 64 Cb 0.09 -2.46 -0.05 0.00 -0.45 0.00 0.00 34.95 32.07 2wa5 s ARG 64 CO 0.13 0.56 1.14 0.15 -0.68 0.00 0.00 175.30 176.60 2wa5 s LYS 65 N -1.84 3.28 0.32 3.54 1.02 -1.26 -5.05 119.74 119.75 2wa5 s LYS 65 Ca 0.20 1.63 -0.05 0.00 0.02 0.00 0.00 55.97 57.78 2wa5 s LYS 65 Cb -0.11 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2wa5 s LYS 65 CO 0.12 -0.91 0.47 1.52 -0.92 0.00 0.00 175.35 175.62 2wa5 s TYR 66 N -1.77 0.91 -0.33 3.18 1.13 -1.26 -4.98 117.35 114.23 2wa5 s TYR 66 Ca 0.73 -1.19 -0.15 0.00 -1.41 0.00 0.00 57.07 55.05 2wa5 s TYR 66 Cb -0.25 -0.02 -0.02 0.00 -1.10 0.00 0.00 41.96 40.58 2wa5 s TYR 66 CO 0.28 -1.11 0.36 -1.01 -2.51 0.00 0.00 175.55 171.57 2wa5 s HIS 67 N -3.23 3.21 -0.14 -3.49 3.76 -1.26 -4.95 115.29 109.19 2wa5 s HIS 67 Ca 0.29 0.03 0.27 0.00 -0.15 0.00 0.00 55.06 55.50 2wa5 s HIS 67 Cb -0.00 -2.66 0.81 0.00 1.11 0.00 0.00 32.58 31.83 2wa5 s HIS 67 CO 0.18 -0.41 1.78 1.96 -0.85 0.00 0.00 174.74 177.39 2wa5 h GLN 68 N 8.43 0.00 -2.26 1.40 1.08 -1.99 -3.32 115.11 118.46 2wa5 h GLN 68 Ca -0.30 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.31 2wa5 h GLN 68 Cb 1.15 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.17 2wa5 h GLN 68 CO 0.69 0.05 -0.82 0.54 -0.95 0.00 0.00 178.83 178.34 2wa5 n ARG 69 N -3.13 1.51 -1.70 1.46 1.74 -1.26 -5.04 116.66 110.23 2wa5 n ARG 69 Ca 0.02 -3.95 -0.42 0.00 -0.77 0.00 0.00 57.85 52.73 2wa5 n ARG 69 Cb 0.44 -1.81 -0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2wa5 n ARG 69 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wa5 n PRO 70 N 1.42 2.78 0.14 5.56 -0.04 -1.25 -4.72 135.00 138.89 2wa5 n PRO 70 Ca 0.25 -2.56 -0.00 0.00 -0.04 0.00 0.00 63.50 61.15 2wa5 n PRO 70 Cb 0.45 -3.27 0.20 0.00 -0.04 0.00 0.00 33.50 30.84 2wa5 n PRO 70 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wa5 h THR 71 N 4.04 1.38 -2.69 0.52 1.35 -1.96 -3.41 112.91 112.13 2wa5 h THR 71 Ca 0.56 -2.01 -0.57 0.00 -0.55 0.00 0.00 66.41 63.84 2wa5 h THR 71 Cb 0.64 2.10 -0.07 0.00 -1.73 0.00 0.00 68.15 69.09 2wa5 h THR 71 CO 1.89 0.57 -0.56 -0.36 -0.25 0.00 0.00 175.52 176.81 2wa5 s PHE 72 N -3.64 3.16 0.24 4.73 0.08 -1.26 -5.02 117.98 116.27 2wa5 s PHE 72 Ca -0.01 -0.01 -0.05 0.00 0.12 0.00 0.00 56.93 56.97 2wa5 s PHE 72 Cb 0.13 -1.52 0.43 0.00 -0.57 0.00 0.00 43.02 41.49 2wa5 s PHE 72 CO 0.75 0.52 1.72 -0.09 -0.10 0.00 0.00 175.22 178.03 2wa5 h ARG 73 N 2.39 0.39 -0.37 0.44 2.43 -2.00 -1.85 114.38 115.82 2wa5 h ARG 73 Ca -0.48 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 2wa5 h ARG 73 Cb 1.20 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2wa5 h ARG 73 CO 0.63 0.26 0.03 0.37 -1.51 0.00 0.00 179.97 179.75 2wa5 h GLN 74 N 0.40 0.57 -0.40 0.20 5.75 -1.97 0.29 115.11 119.96 2wa5 h GLN 74 Ca 0.40 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.70 2wa5 h GLN 74 Cb 0.60 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 2wa5 h GLN 74 CO -0.41 0.57 -0.07 0.52 -2.65 0.00 0.00 178.83 176.80 2wa5 h MET 75 N 0.55 0.75 -0.65 1.69 2.86 -1.71 -1.87 114.93 116.56 2wa5 h MET 75 Ca 0.12 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 2wa5 h MET 75 Cb 0.31 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2wa5 h MET 75 CO 0.01 0.87 0.22 1.96 1.06 0.00 0.00 176.91 181.03 2wa5 h GLN 76 N 0.57 0.99 -0.54 1.72 4.20 -0.82 -0.74 115.11 120.48 2wa5 h GLN 76 Ca 0.10 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2wa5 h GLN 76 Cb 0.58 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2wa5 h GLN 76 CO 0.03 0.85 0.36 -0.07 -0.67 0.00 0.00 178.83 179.33 2wa5 h LEU 77 N 0.92 0.63 -0.43 1.46 3.38 -0.89 -1.32 115.31 119.06 2wa5 h LEU 77 Ca 0.21 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2wa5 h LEU 77 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2wa5 h LEU 77 CO -0.01 0.46 0.08 -0.33 0.09 0.00 0.00 178.44 178.73 2wa5 h GLU 78 N 0.73 0.71 -0.17 1.13 5.08 -1.14 -0.14 114.58 120.78 2wa5 h GLU 78 Ca 0.20 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2wa5 h GLU 78 Cb -0.08 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2wa5 h GLU 78 CO -0.04 0.74 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.77 2wa5 h ASN 79 N 0.57 -0.12 -0.57 1.42 4.21 -0.95 -1.30 115.58 118.83 2wa5 h ASN 79 Ca 0.13 0.05 -0.06 0.00 1.21 0.00 0.00 56.30 57.63 2wa5 h ASN 79 Cb 0.36 0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.63 2wa5 h ASN 79 CO 0.01 -0.04 0.15 0.58 -1.29 0.00 0.00 177.43 176.84 2wa5 h VAL 80 N 0.02 1.24 -0.63 2.81 2.07 -1.14 -2.58 116.25 118.05 2wa5 h VAL 80 Ca 0.08 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2wa5 h VAL 80 Cb 0.11 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2wa5 h VAL 80 CO -0.16 0.33 0.27 0.28 0.02 0.00 0.00 177.57 178.32 2wa5 h SER 81 N 0.91 0.82 -0.40 0.57 0.02 -0.67 0.40 113.55 115.20 2wa5 h SER 81 Ca 0.20 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2wa5 h SER 81 Cb 0.33 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2wa5 h SER 81 CO -0.00 0.72 0.25 0.58 -1.14 0.00 0.00 176.83 177.23 2wa5 h VAL 82 N 0.89 1.12 -0.44 2.27 2.07 -0.93 -0.30 116.25 120.93 2wa5 h VAL 82 Ca 0.22 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2wa5 h VAL 82 Cb 0.14 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2wa5 h VAL 82 CO -0.02 0.12 0.28 0.00 0.02 0.00 0.00 177.57 177.97 2wa5 h ALA 83 N 1.12 0.56 -0.21 1.67 0.00 -1.00 -1.29 119.26 120.11 2wa5 h ALA 83 Ca 0.14 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2wa5 h ALA 83 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wa5 h ALA 83 CO -0.03 -0.02 -0.54 -0.07 0.00 0.00 0.00 179.25 178.59 2wa5 h LEU 84 N 0.57 0.67 -0.71 0.00 3.38 -0.78 -2.41 115.31 116.02 2wa5 h LEU 84 Ca 0.17 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2wa5 h LEU 84 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2wa5 h LEU 84 CO -0.06 1.08 0.29 -0.08 0.09 0.00 0.00 178.44 179.76 2wa5 h GLU 85 N 0.47 1.06 -0.25 1.13 4.81 -0.94 -0.95 114.58 119.90 2wa5 h GLU 85 Ca 0.01 -0.19 0.05 0.00 -0.13 0.00 0.00 59.36 59.10 2wa5 h GLU 85 Cb 1.09 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 2wa5 h GLU 85 CO 0.10 0.87 -0.07 0.35 -0.73 0.00 0.00 179.01 179.54 2wa5 h PHE 86 N 1.01 -0.15 -0.31 0.92 3.57 -1.04 0.16 116.94 121.11 2wa5 h PHE 86 Ca 0.24 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2wa5 h PHE 86 Cb 0.20 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2wa5 h PHE 86 CO 0.01 -0.11 0.18 -0.07 -2.23 0.00 0.00 178.31 176.09 2wa5 h LEU 87 N -0.01 0.39 -0.91 0.59 3.38 -1.28 -1.82 115.31 115.65 2wa5 h LEU 87 Ca 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wa5 h LEU 87 Cb 0.19 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2wa5 h LEU 87 CO -0.26 0.35 0.56 -0.78 0.09 0.00 0.00 178.44 178.40 2wa5 h ASP 88 N 0.39 1.08 1.56 -0.43 3.58 -0.63 -1.32 116.42 120.66 2wa5 h ASP 88 Ca 0.11 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2wa5 h ASP 88 Cb 0.05 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.82 2wa5 h ASP 88 CO -0.02 0.82 0.00 0.03 -2.88 0.00 0.00 179.24 177.19 2wa5 h ARG 89 N 1.24 0.00 -0.15 0.28 3.08 -0.54 -2.10 114.38 116.20 2wa5 h ARG 89 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2wa5 h ARG 89 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2wa5 h ARG 89 CO -0.06 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.23 2wa5 n GLU 90 N -2.78 1.39 -2.90 0.04 -0.58 -0.70 -4.91 120.64 110.20 2wa5 n GLU 90 Ca 0.04 -0.60 -0.22 0.00 -0.42 0.00 0.00 57.16 55.96 2wa5 n GLU 90 Cb 0.43 -1.18 0.02 0.00 -0.57 0.00 0.00 31.44 30.15 2wa5 n GLU 90 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2wa5 n SER 91 N -0.05 -5.65 -4.46 1.62 7.64 -0.79 -4.95 113.62 106.98 2wa5 n SER 91 Ca 0.08 -0.21 -0.43 0.00 1.01 0.00 0.00 58.87 59.31 2wa5 n SER 91 Cb 0.15 -4.62 -0.07 0.00 -1.01 0.00 0.00 64.21 58.67 2wa5 n SER 91 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2wa5 s ILE 92 N -3.09 4.97 -0.04 0.44 1.01 -0.56 -5.02 121.20 118.92 2wa5 s ILE 92 Ca 0.23 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 2wa5 s ILE 92 Cb -0.11 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 2wa5 s ILE 92 CO 0.29 -0.64 1.49 -0.75 0.00 0.00 0.00 174.94 175.32 2wa5 s LYS 93 N 2.39 4.23 0.05 2.79 2.20 -1.26 -4.31 119.74 125.84 2wa5 s LYS 93 Ca 0.14 2.03 0.06 0.00 -0.36 0.00 0.00 55.97 57.84 2wa5 s LYS 93 Cb -0.18 -3.74 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 2wa5 s LYS 93 CO 0.13 -0.70 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.76 2wa5 s LEU 94 N 3.12 2.79 -0.06 5.43 1.43 -1.26 -5.01 118.68 125.12 2wa5 s LEU 94 Ca 0.66 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2wa5 s LEU 94 Cb -0.31 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.30 2wa5 s LEU 94 CO 0.26 0.24 -0.10 -0.69 0.23 0.00 0.00 176.35 176.30 2wa5 s VAL 95 N -1.00 0.97 0.00 -1.59 1.01 -1.26 -4.82 120.40 113.71 2wa5 s VAL 95 Ca 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2wa5 s VAL 95 Cb -0.11 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.36 2wa5 s VAL 95 CO 0.07 0.32 0.00 -1.20 0.00 0.00 0.00 175.10 174.29 2wa5 n SER 96 N 3.93 0.00 -4.62 3.32 7.64 -1.26 -4.96 113.62 117.68 2wa5 n SER 96 Ca -0.23 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.25 2wa5 n SER 96 Cb 0.51 -1.08 -0.07 0.00 -1.01 0.00 0.00 64.21 62.57 2wa5 n SER 96 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2wa5 s ILE 97 N -2.47 5.03 0.42 0.44 1.01 -1.26 -5.03 121.20 119.34 2wa5 s ILE 97 Ca 0.00 0.97 0.04 0.00 0.00 0.00 0.00 60.65 61.66 2wa5 s ILE 97 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2wa5 s ILE 97 CO 0.00 0.05 0.04 1.51 0.00 0.00 0.00 174.94 176.54 2wa5 s ASP 98 N 1.53 3.48 0.13 3.58 1.47 -1.26 -5.07 116.67 120.52 2wa5 s ASP 98 Ca 0.23 -1.51 -0.18 0.00 1.18 0.00 0.00 52.55 52.28 2wa5 s ASP 98 Cb -0.16 0.10 -0.03 0.00 -0.34 0.00 0.00 42.92 42.49 2wa5 s ASP 98 CO 0.09 -0.68 1.73 0.28 0.68 0.00 0.00 175.17 177.26 2wa5 h SER 99 N 1.71 0.39 0.23 2.11 0.02 -1.91 -2.66 113.55 113.44 2wa5 h SER 99 Ca -0.42 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 2wa5 h SER 99 Cb 1.27 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2wa5 h SER 99 CO 0.73 0.37 -0.21 0.07 -1.14 0.00 0.00 176.83 176.64 2wa5 h LYS 100 N 0.38 0.00 -0.79 3.45 2.10 -1.98 -0.40 116.57 119.35 2wa5 h LYS 100 Ca 0.11 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.86 2wa5 h LYS 100 Cb 0.06 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.32 2wa5 h LYS 100 CO -0.02 0.21 0.42 0.00 -2.00 0.00 0.00 179.45 178.07 2wa5 h ALA 101 N 1.79 1.12 0.03 0.07 0.00 -1.87 0.19 119.26 120.58 2wa5 h ALA 101 Ca -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2wa5 h ALA 101 Cb 0.39 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wa5 h ALA 101 CO 0.03 0.02 -0.26 0.82 0.00 0.00 0.00 179.25 179.86 2wa5 h ILE 102 N 0.70 1.63 -0.92 0.00 1.08 -1.30 -1.01 117.51 117.69 2wa5 h ILE 102 Ca 0.39 -2.17 0.08 0.00 -0.39 0.00 0.00 64.86 62.76 2wa5 h ILE 102 Cb 0.40 3.05 -0.06 0.00 -3.07 0.00 0.00 36.82 37.14 2wa5 h ILE 102 CO -0.27 0.59 0.60 0.58 -0.69 0.00 0.00 178.15 178.95 2wa5 h VAL 103 N -0.65 1.03 -0.44 1.67 2.07 -0.96 -2.78 116.25 116.19 2wa5 h VAL 103 Ca -0.04 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2wa5 h VAL 103 Cb 1.11 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2wa5 h VAL 103 CO 0.05 0.18 0.00 0.47 0.02 0.00 0.00 177.57 178.29 2wa5 n ASP 104 N -4.51 3.43 -3.30 0.57 8.00 0.66 -4.86 116.55 116.55 2wa5 n ASP 104 Ca 0.15 -2.32 -0.22 0.00 0.71 0.00 0.00 54.79 53.11 2wa5 n ASP 104 Cb 0.23 -0.48 0.07 0.00 -0.02 0.00 0.00 41.12 40.93 2wa5 n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wa5 n GLY 105 N 0.85 -0.40 3.55 0.44 0.00 -1.05 -4.93 105.19 103.65 2wa5 n GLY 105 Ca 0.18 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 2wa5 n GLY 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wa5 s ASN 106 N -3.30 6.03 0.21 1.61 3.84 -0.39 -4.87 114.94 118.07 2wa5 s ASN 106 Ca 0.53 -0.55 -0.07 0.00 0.21 0.00 0.00 52.86 52.98 2wa5 s ASN 106 Cb -0.23 -2.56 0.15 0.00 -0.55 0.00 0.00 41.25 38.06 2wa5 s ASN 106 CO 0.66 -1.91 1.69 0.25 -2.79 0.00 0.00 177.10 175.00 2wa5 h LEU 107 N 13.81 0.99 -0.33 3.21 5.85 -1.92 -0.45 115.31 136.47 2wa5 h LEU 107 Ca -0.15 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.36 2wa5 h LEU 107 Cb 1.06 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2wa5 h LEU 107 CO 1.30 1.02 0.05 0.50 -0.34 0.00 0.00 178.44 180.97 2wa5 h LYS 108 N 0.95 0.16 -0.08 1.25 3.64 -1.98 0.65 116.57 121.16 2wa5 h LYS 108 Ca 0.18 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 2wa5 h LYS 108 Cb 0.49 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2wa5 h LYS 108 CO 0.02 0.11 -0.62 -0.07 -2.27 0.00 0.00 179.45 176.62 2wa5 h LEU 109 N 0.17 0.34 -0.20 5.20 3.38 -1.82 -1.35 115.31 121.03 2wa5 h LEU 109 Ca 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2wa5 h LEU 109 Cb 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2wa5 h LEU 109 CO -0.21 0.87 0.10 0.40 0.09 0.00 0.00 178.44 179.69 2wa5 h ILE 110 N 0.22 1.13 -0.98 1.22 2.04 -0.76 -0.29 117.51 120.09 2wa5 h ILE 110 Ca -0.01 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.54 2wa5 h ILE 110 Cb 1.13 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 2wa5 h ILE 110 CO 0.10 0.12 0.64 -0.07 0.00 0.00 0.00 178.15 178.94 2wa5 h LEU 111 N 0.19 1.04 -0.40 1.44 3.38 -0.77 -0.83 115.31 119.36 2wa5 h LEU 111 Ca 0.07 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2wa5 h LEU 111 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wa5 h LEU 111 CO -0.01 0.69 0.25 1.23 0.09 0.00 0.00 178.44 180.69 2wa5 h GLY 112 N 1.19 0.56 0.93 0.83 0.00 -0.91 0.55 103.07 106.22 2wa5 h GLY 112 Ca 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2wa5 h GLY 112 CO -0.14 0.18 0.14 -2.00 0.00 0.00 0.00 176.54 174.72 2wa5 h LEU 113 N 0.51 0.41 -0.67 3.11 5.85 -0.64 -1.88 115.31 122.00 2wa5 h LEU 113 Ca 0.15 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2wa5 h LEU 113 Cb -0.03 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2wa5 h LEU 113 CO -0.05 0.43 0.27 0.58 -0.34 0.00 0.00 178.44 179.33 2wa5 h VAL 114 N 0.36 1.24 -0.60 1.05 2.07 -0.82 -2.38 116.25 117.16 2wa5 h VAL 114 Ca 0.11 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.94 2wa5 h VAL 114 Cb 0.14 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2wa5 h VAL 114 CO -0.01 0.30 0.32 -0.25 0.02 0.00 0.00 177.57 177.94 2wa5 h TRP 115 N 0.94 0.58 -0.80 1.57 2.91 -0.82 -0.96 115.95 119.38 2wa5 h TRP 115 Ca 0.22 0.02 0.14 0.00 1.13 0.00 0.00 58.89 60.40 2wa5 h TRP 115 Cb 0.20 -0.17 -0.09 0.00 -0.51 0.00 0.00 29.16 28.59 2wa5 h TRP 115 CO 0.01 0.28 0.39 1.15 -1.03 0.00 0.00 178.44 179.24 2wa5 h THR 116 N 0.60 0.73 -0.25 2.65 2.02 -0.90 0.26 112.91 118.01 2wa5 h THR 116 Ca 0.27 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 2wa5 h THR 116 Cb 0.17 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2wa5 h THR 116 CO -0.18 0.10 -0.09 -0.07 0.37 0.00 0.00 175.52 175.65 2wa5 h LEU 117 N 0.57 0.51 0.18 2.58 3.38 -0.88 -1.58 115.31 120.08 2wa5 h LEU 117 Ca 0.43 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2wa5 h LEU 117 Cb 0.60 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2wa5 h LEU 117 CO -0.36 0.79 -0.11 0.40 0.09 0.00 0.00 178.44 179.25 2wa5 h ILE 118 N 0.23 0.76 -0.56 1.22 2.04 -0.59 0.22 117.51 120.84 2wa5 h ILE 118 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2wa5 h ILE 118 Cb 0.58 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2wa5 h ILE 118 CO 0.03 0.00 0.37 0.25 0.00 0.00 0.00 178.15 178.80 2wa5 h LEU 119 N -0.28 0.64 0.47 1.44 5.85 -0.51 0.12 115.31 123.04 2wa5 h LEU 119 Ca -0.02 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2wa5 h LEU 119 Cb 0.24 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2wa5 h LEU 119 CO 0.02 0.47 -0.23 -0.74 -0.34 0.00 0.00 178.44 177.62 2wa5 h HIS 120 N 0.76 -0.59 0.01 1.25 2.76 -1.22 0.15 115.15 118.27 2wa5 h HIS 120 Ca 0.20 -0.01 -0.24 0.00 -2.20 0.00 0.00 60.37 58.12 2wa5 h HIS 120 Cb -0.09 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 2wa5 h HIS 120 CO -0.04 -0.29 -1.20 1.88 -1.30 0.00 0.00 177.93 176.98 2wa5 h TYR 121 N -1.08 0.06 0.00 5.26 0.05 -0.54 -1.15 116.97 119.57 2wa5 h TYR 121 Ca -0.06 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.61 2wa5 h TYR 121 Cb 0.56 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2wa5 h TYR 121 CO 0.01 1.04 -1.99 0.43 -1.05 0.00 0.00 178.16 176.60 2wa5 n SER 122 N -3.30 0.39 -0.04 3.88 7.64 0.00 -4.13 113.62 118.06 2wa5 n SER 122 Ca -0.05 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.74 2wa5 n SER 122 Cb 0.98 1.74 -0.03 0.00 -1.01 0.00 0.00 64.21 65.89 2wa5 n SER 122 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2wa5 n ILE 123 N -2.29 0.55 0.12 0.44 5.41 -1.04 -4.71 119.36 117.84 2wa5 n ILE 123 Ca -0.09 -0.07 -0.23 0.00 1.00 0.00 0.00 62.75 63.37 2wa5 n ILE 123 Cb 0.63 -1.63 -0.15 0.00 -0.71 0.00 0.00 39.64 37.78 2wa5 n ILE 123 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2wa5 h SER 124 N -0.30 0.80 0.00 4.38 0.87 -0.70 -3.41 113.55 115.19 2wa5 h SER 124 Ca -0.19 -0.81 -0.00 0.00 -1.23 0.00 0.00 61.79 59.55 2wa5 h SER 124 Cb 1.09 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2wa5 h SER 124 CO -0.12 1.63 -0.03 0.24 -0.53 0.00 0.00 176.83 178.02 2wa5 h MET 125 N 0.18 0.00 -6.71 2.24 2.86 -1.42 -3.49 114.93 108.59 2wa5 h MET 125 Ca -0.22 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.89 2wa5 h MET 125 Cb 2.06 0.00 0.21 0.00 0.06 0.00 0.00 31.60 33.93 2wa5 h MET 125 CO 0.25 0.52 -0.66 -2.30 1.06 0.00 0.00 176.91 175.78 2wa5 n PRO 126 N -4.69 -0.20 -3.07 -0.22 -0.02 -1.26 -4.94 135.00 120.60 2wa5 n PRO 126 Ca -0.06 -0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 60.99 2wa5 n PRO 126 Cb 0.26 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2wa5 n PRO 126 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wa5 s VAL 127 N -2.31 4.89 -0.28 -1.45 -7.23 -1.26 -5.05 120.40 107.72 2wa5 s VAL 127 Ca 0.56 0.90 -0.02 0.00 -1.81 0.00 0.00 61.98 61.60 2wa5 s VAL 127 Cb -0.22 -4.05 0.03 0.00 0.56 0.00 0.00 36.38 32.70 2wa5 s VAL 127 CO 0.68 -0.20 -0.02 0.26 -0.31 0.00 0.00 175.10 175.51 2wa5 s TRP 128 N 2.72 3.15 0.97 2.82 0.51 -1.26 -4.86 118.94 122.99 2wa5 s TRP 128 Ca 0.27 -1.60 -0.16 0.00 -2.12 0.00 0.00 56.10 52.49 2wa5 s TRP 128 Cb -0.15 -2.10 0.19 0.00 -0.81 0.00 0.00 33.47 30.60 2wa5 s TRP 128 CO 0.12 -0.74 1.26 -1.21 -0.51 0.00 0.00 176.95 175.87 2wa5 s GLU 129 N 1.32 0.62 0.00 4.98 0.41 -1.26 -4.39 118.70 120.38 2wa5 s GLU 129 Ca -0.02 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 2wa5 s GLU 129 Cb -0.18 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 2wa5 s GLU 129 CO -0.02 -2.46 0.00 -0.25 -0.49 0.00 0.00 175.26 172.04 2wa5 n ASP 130 N -3.84 -1.89 -0.85 -0.19 8.00 -1.26 -4.71 116.55 111.81 2wa5 n ASP 130 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2wa5 n ASP 130 Cb 0.60 -2.32 0.00 0.00 -0.02 0.00 0.00 41.12 39.38 2wa5 n ASP 130 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2wa5 n GLU 131 N -1.23 0.00 0.00 -1.24 0.00 -1.26 -5.08 120.64 111.83 2wa5 n GLU 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2wa5 n GLU 131 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.58 2wa5 n GLU 131 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2wa5 n LYS 138 N 0.00 0.00 -3.57 5.31 2.85 -1.26 -5.11 118.16 116.38 2wa5 n LYS 138 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 2wa5 n LYS 138 Cb 0.00 -2.08 -0.06 0.00 -0.65 0.00 0.00 35.03 32.25 2wa5 n LYS 138 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 2wa5 s GLN 139 N 0.00 0.30 0.70 -1.58 0.74 -1.26 -5.15 119.66 113.41 2wa5 s GLN 139 Ca 0.00 0.58 -0.14 0.00 0.05 0.00 0.00 55.36 55.85 2wa5 s GLN 139 Cb 0.00 0.16 0.02 0.00 1.10 0.00 0.00 33.01 34.29 2wa5 s GLN 139 CO 0.00 -0.07 1.12 0.95 -0.55 0.00 0.00 175.29 176.74 2wa5 s THR 140 N 1.61 3.07 0.30 -0.34 -4.23 -1.26 -4.82 115.64 109.96 2wa5 s THR 140 Ca -0.07 0.47 0.05 0.00 -1.18 0.00 0.00 61.69 60.96 2wa5 s THR 140 Cb -0.04 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 71.13 2wa5 s THR 140 CO -0.15 -0.33 1.79 -0.65 -0.54 0.00 0.00 174.62 174.74 2wa5 h PRO 141 N -0.28 0.80 -0.62 3.99 0.11 -1.95 -0.56 132.00 133.49 2wa5 h PRO 141 Ca -0.46 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2wa5 h PRO 141 Cb 1.25 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2wa5 h PRO 141 CO 0.52 0.53 0.36 -0.22 -0.21 0.00 0.00 178.00 178.99 2wa5 h LYS 142 N 0.83 0.86 -0.42 1.05 3.64 -1.94 -1.84 116.57 118.75 2wa5 h LYS 142 Ca 0.56 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.76 2wa5 h LYS 142 Cb 0.80 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2wa5 h LYS 142 CO -0.35 0.63 -0.10 1.96 -2.27 0.00 0.00 179.45 179.32 2wa5 h GLN 143 N 0.85 0.73 -0.21 1.90 4.20 -1.74 -1.74 115.11 119.09 2wa5 h GLN 143 Ca 0.22 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2wa5 h GLN 143 Cb 0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2wa5 h GLN 143 CO -0.04 0.81 0.13 -0.09 -0.67 0.00 0.00 178.83 178.98 2wa5 h ARG 144 N 0.67 0.28 -0.42 1.46 2.43 -0.71 -0.85 114.38 117.24 2wa5 h ARG 144 Ca 0.12 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2wa5 h ARG 144 Cb 0.56 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2wa5 h ARG 144 CO 0.03 0.22 -0.01 1.25 -1.51 0.00 0.00 179.97 179.95 2wa5 h LEU 145 N 0.26 0.73 -0.67 3.80 5.85 -1.28 -1.80 115.31 122.21 2wa5 h LEU 145 Ca 0.08 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2wa5 h LEU 145 Cb 0.00 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 2wa5 h LEU 145 CO -0.01 0.87 0.37 -0.07 -0.34 0.00 0.00 178.44 179.25 2wa5 h LEU 146 N 0.58 0.53 -0.39 2.25 3.38 -1.20 -1.30 115.31 119.15 2wa5 h LEU 146 Ca 0.12 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2wa5 h LEU 146 Cb 0.50 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2wa5 h LEU 146 CO 0.02 0.34 0.17 1.23 0.09 0.00 0.00 178.44 180.29 2wa5 h GLY 147 N 0.67 0.62 0.97 0.83 0.00 -0.96 0.14 103.07 105.33 2wa5 h GLY 147 Ca 0.31 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2wa5 h GLY 147 CO -0.20 0.31 0.14 -0.25 0.00 0.00 0.00 176.54 176.54 2wa5 h TRP 148 N 0.49 0.29 -0.69 5.60 7.01 -1.11 -1.97 115.95 125.57 2wa5 h TRP 148 Ca 0.13 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 2wa5 h TRP 148 Cb 0.17 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 2wa5 h TRP 148 CO -0.00 0.22 0.24 0.82 -2.79 0.00 0.00 178.44 176.93 2wa5 h ILE 149 N 0.28 1.25 -0.72 2.65 2.04 -1.06 -2.61 117.51 119.33 2wa5 h ILE 149 Ca 0.08 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 2wa5 h ILE 149 Cb 0.01 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2wa5 h ILE 149 CO -0.02 0.32 0.28 -0.61 0.00 0.00 0.00 178.15 178.12 2wa5 h GLN 150 N 0.99 1.08 -0.27 2.37 5.75 -0.55 -1.83 115.11 122.65 2wa5 h GLN 150 Ca 0.22 -0.19 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 2wa5 h GLN 150 Cb 0.25 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 2wa5 h GLN 150 CO -0.01 0.89 -0.08 -0.97 -2.65 0.00 0.00 178.83 176.00 2wa5 h ASN 151 N 1.05 0.42 0.10 -0.69 -1.24 -1.18 -2.89 115.58 111.15 2wa5 h ASN 151 Ca 0.24 -0.09 -0.15 0.00 0.71 0.00 0.00 56.30 57.01 2wa5 h ASN 151 Cb 0.22 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2wa5 h ASN 151 CO -0.02 0.55 -0.52 0.11 -1.29 0.00 0.00 177.43 176.26 2wa5 h LYS 152 N 0.41 0.46 -2.62 6.67 1.79 -0.98 -3.37 116.57 118.94 2wa5 h LYS 152 Ca 0.08 -0.28 -0.60 0.00 -2.18 0.00 0.00 60.65 57.68 2wa5 h LYS 152 Cb 0.41 0.03 -0.41 0.00 -1.58 0.00 0.00 32.23 30.67 2wa5 h LYS 152 CO 0.02 0.87 -0.73 0.44 -1.08 0.00 0.00 179.45 178.97 2wa5 n ILE 153 N -3.96 0.87 0.56 1.86 -5.35 -0.77 -4.80 119.36 107.77 2wa5 n ILE 153 Ca -0.03 -4.51 0.10 0.00 -0.27 0.00 0.00 62.75 58.04 2wa5 n ILE 153 Cb 0.58 -2.02 0.41 0.00 -1.74 0.00 0.00 39.64 36.87 2wa5 n ILE 153 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2wa5 n PRO 154 N 1.88 0.07 -0.04 6.28 -0.04 -1.12 -2.95 135.00 139.07 2wa5 n PRO 154 Ca 0.25 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 2wa5 n PRO 154 Cb 0.41 -1.61 0.22 0.00 -0.04 0.00 0.00 33.50 32.48 2wa5 n PRO 154 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wa5 n TYR 155 N -1.73 0.11 -5.25 0.54 4.01 -1.26 -4.84 117.16 108.74 2wa5 n TYR 155 Ca 0.04 -0.06 -0.31 0.00 -0.16 0.00 0.00 57.90 57.41 2wa5 n TYR 155 Cb 0.23 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.09 2wa5 n TYR 155 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wa5 s LEU 156 N -1.87 2.07 -0.36 7.72 1.43 -1.15 -5.09 118.68 121.42 2wa5 s LEU 156 Ca 0.32 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 2wa5 s LEU 156 Cb 0.21 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 45.06 2wa5 s LEU 156 CO 0.31 0.24 1.44 -2.16 0.23 0.00 0.00 176.35 176.41 2wa5 s PRO 157 N -0.12 3.65 -0.38 1.29 0.04 -1.26 -4.97 135.00 133.24 2wa5 s PRO 157 Ca -0.05 1.13 -0.08 0.00 0.04 0.00 0.00 61.00 62.04 2wa5 s PRO 157 Cb -0.14 -4.01 0.06 0.00 0.04 0.00 0.00 34.50 30.45 2wa5 s PRO 157 CO 0.04 -1.46 0.19 0.42 0.04 0.00 0.00 177.00 176.23 2wa5 s ILE 158 N 5.30 4.07 0.00 0.56 -1.09 -1.26 -4.90 121.20 123.88 2wa5 s ILE 158 Ca 0.63 -1.25 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 2wa5 s ILE 158 Cb -0.16 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2wa5 s ILE 158 CO 0.30 -0.35 0.09 0.35 -1.23 0.00 0.00 174.94 174.10 2wa5 n THR 159 N 4.87 0.00 -4.07 2.92 -2.24 -1.26 -4.87 114.28 109.63 2wa5 n THR 159 Ca -0.11 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 2wa5 n THR 159 Cb 0.44 1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 2wa5 n THR 159 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wa5 s ASN 160 N -0.61 0.26 -0.27 3.42 2.20 -1.26 -5.06 114.94 113.62 2wa5 s ASN 160 Ca 0.00 -1.20 0.09 0.00 -0.94 0.00 0.00 52.86 50.81 2wa5 s ASN 160 Cb 0.00 0.56 0.45 0.00 -2.00 0.00 0.00 41.25 40.26 2wa5 s ASN 160 CO 0.00 -1.12 1.25 0.49 -2.94 0.00 0.00 177.10 174.77 2wa5 n PHE 161 N -0.41 1.50 0.00 1.54 3.72 -1.26 -4.65 117.46 117.90 2wa5 n PHE 161 Ca -0.00 -1.90 0.00 0.00 -0.05 0.00 0.00 57.45 55.50 2wa5 n PHE 161 Cb 0.63 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 2wa5 n PHE 161 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2wa5 n ASN 162 N -0.92 0.00 -0.02 4.37 0.23 -1.26 -4.18 115.26 113.49 2wa5 n ASN 162 Ca 0.33 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.40 2wa5 n ASN 162 Cb 0.85 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.88 2wa5 n ASN 162 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2wa5 h GLN 163 N 0.00 0.57 -0.04 -3.83 -0.00 -1.93 -1.47 115.11 108.41 2wa5 h GLN 163 Ca 0.00 -0.09 0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2wa5 h GLN 163 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.38 2wa5 h GLN 163 CO 0.00 0.50 0.10 -0.91 0.00 0.00 0.00 178.83 178.52 2wa5 h ASN 164 N 0.56 0.00 -0.02 -0.69 -0.26 -1.94 -2.71 115.58 110.53 2wa5 h ASN 164 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2wa5 h ASN 164 Cb 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 2wa5 h ASN 164 CO -0.01 0.00 -0.10 0.79 -1.06 0.00 0.00 177.43 177.06 2wa5 n TRP 165 N -3.32 0.00 0.01 1.19 7.02 -0.56 -4.59 117.44 117.19 2wa5 n TRP 165 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.43 2wa5 n TRP 165 Cb 0.17 0.00 0.21 0.00 -2.42 0.00 0.00 31.31 29.28 2wa5 n TRP 165 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 2wa5 h GLN 166 N 2.86 0.50 -0.01 -0.99 4.15 -1.46 -2.50 115.11 117.66 2wa5 h GLN 166 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2wa5 h GLN 166 Cb 0.66 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.31 2wa5 h GLN 166 CO 0.00 0.68 -0.06 -0.40 -1.93 0.00 0.00 178.83 177.12 2wa5 n ASP 167 N -4.15 0.84 0.00 -0.69 5.68 -1.26 -4.79 116.55 112.18 2wa5 n ASP 167 Ca -0.00 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.21 2wa5 n ASP 167 Cb 0.38 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2wa5 n ASP 167 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wa5 n GLY 168 N 1.18 1.21 0.12 6.12 0.00 -0.94 -4.21 105.19 108.66 2wa5 n GLY 168 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 2wa5 n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wa5 h LYS 169 N 2.58 0.30 -0.76 1.61 1.57 -1.91 -3.04 116.57 116.92 2wa5 h LYS 169 Ca 0.00 -0.51 0.05 0.00 -1.87 0.00 0.00 60.65 58.32 2wa5 h LYS 169 Cb 0.00 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 2wa5 h LYS 169 CO 0.00 1.19 0.50 0.00 -0.57 0.00 0.00 179.45 180.57 2wa5 h ALA 170 N 0.45 1.59 -0.29 3.86 0.00 -1.90 0.11 119.26 123.09 2wa5 h ALA 170 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wa5 h ALA 170 Cb 2.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2wa5 h ALA 170 CO 0.18 0.31 0.18 -0.07 0.00 0.00 0.00 179.25 179.86 2wa5 h LEU 171 N 0.88 0.34 -0.25 0.00 3.38 -1.89 0.05 115.31 117.82 2wa5 h LEU 171 Ca 0.31 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.29 2wa5 h LEU 171 Cb 0.13 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2wa5 h LEU 171 CO -0.10 0.27 -0.02 1.23 0.09 0.00 0.00 178.44 179.91 2wa5 h GLY 172 N 0.38 0.22 0.98 0.83 0.00 -1.23 -1.67 103.07 102.57 2wa5 h GLY 172 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.49 2wa5 h GLY 172 CO -0.02 -0.07 0.47 0.00 0.00 0.00 0.00 176.54 176.92 2wa5 h ALA 173 N 1.22 0.91 -0.18 3.60 0.00 -0.56 -1.37 119.26 122.88 2wa5 h ALA 173 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wa5 h ALA 173 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wa5 h ALA 173 CO -0.22 0.31 0.08 1.25 0.00 0.00 0.00 179.25 180.67 2wa5 h LEU 174 N 0.95 0.24 -0.63 0.00 5.85 -0.78 -1.38 115.31 119.56 2wa5 h LEU 174 Ca 0.27 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2wa5 h LEU 174 Cb -0.09 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2wa5 h LEU 174 CO -0.07 0.32 0.16 0.58 -0.34 0.00 0.00 178.44 179.09 2wa5 h VAL 175 N 0.14 1.25 -0.21 1.05 2.07 -1.15 -1.36 116.25 118.04 2wa5 h VAL 175 Ca 0.06 -0.91 -0.18 0.00 0.82 0.00 0.00 66.70 66.49 2wa5 h VAL 175 Cb 0.15 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2wa5 h VAL 175 CO -0.01 0.34 -0.60 -0.78 0.02 0.00 0.00 177.57 176.55 2wa5 h ASP 176 N 0.92 0.79 -0.43 0.57 3.58 -1.25 -1.98 116.42 118.62 2wa5 h ASP 176 Ca 0.20 -0.44 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2wa5 h ASP 176 Cb 0.35 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2wa5 h ASP 176 CO 0.00 1.20 0.19 -1.28 -2.88 0.00 0.00 179.24 176.48 2wa5 h SER 177 N 0.52 0.61 -0.49 2.28 0.87 -1.08 0.36 113.55 116.62 2wa5 h SER 177 Ca -0.00 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2wa5 h SER 177 Cb 1.18 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 2wa5 h SER 177 CO 0.12 0.55 0.02 0.00 -0.53 0.00 0.00 176.83 176.99 2wa5 s ALA 179 N -5.03 -1.11 0.13 0.00 0.00 -0.75 -5.04 121.76 109.94 2wa5 s ALA 179 Ca -0.10 -0.77 -0.35 0.00 0.00 0.00 0.00 51.96 50.74 2wa5 s ALA 179 Cb 0.14 -2.35 -0.15 0.00 0.00 0.00 0.00 23.12 20.77 2wa5 s ALA 179 CO 0.83 -2.17 1.52 -2.30 0.00 0.00 0.00 175.76 173.64 2wa5 n PRO 180 N 3.66 1.87 0.00 0.00 -0.02 0.12 -2.11 135.00 138.51 2wa5 n PRO 180 Ca 0.16 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2wa5 n PRO 180 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2wa5 n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wa5 n GLY 181 N 3.21 2.38 0.15 -1.23 0.00 -1.26 -4.97 105.19 103.47 2wa5 n GLY 181 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2wa5 n GLY 181 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wa5 h LEU 182 N 0.00 0.52 -5.92 0.99 3.38 -1.75 -3.39 115.31 109.14 2wa5 h LEU 182 Ca 0.00 -0.69 -0.47 0.00 0.09 0.00 0.00 57.88 56.81 2wa5 h LEU 182 Cb 0.00 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 40.19 2wa5 h LEU 182 CO 0.00 1.13 -1.19 0.00 0.09 0.00 0.00 178.44 178.47 2wa5 h PRO 184 N 3.00 0.01 -0.66 0.00 0.13 -1.92 -2.92 132.00 129.64 2wa5 h PRO 184 Ca 0.09 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 2wa5 h PRO 184 Cb 0.98 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2wa5 h PRO 184 CO 0.50 0.34 0.01 -0.40 -0.23 0.00 0.00 178.00 178.23 2wa5 n ASP 185 N -4.14 4.95 -0.23 1.44 5.75 -1.26 -4.64 116.55 118.42 2wa5 n ASP 185 Ca -0.02 -2.80 0.14 0.00 -0.01 0.00 0.00 54.79 52.10 2wa5 n ASP 185 Cb 0.37 -0.66 0.44 0.00 -1.03 0.00 0.00 41.12 40.24 2wa5 n ASP 185 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2wa5 h TRP 186 N 3.29 0.67 0.00 2.11 5.08 -1.86 -1.22 115.95 124.01 2wa5 h TRP 186 Ca 0.01 0.02 -0.06 0.00 1.08 0.00 0.00 58.89 59.94 2wa5 h TRP 186 Cb 1.77 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 27.71 2wa5 h TRP 186 CO 0.93 0.25 -0.30 0.93 -1.28 0.00 0.00 178.44 178.98 2wa5 h GLU 187 N 0.57 0.00 -0.06 0.12 5.08 -1.88 -2.21 114.58 116.20 2wa5 h GLU 187 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2wa5 h GLU 187 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2wa5 h GLU 187 CO -0.17 0.30 0.00 -1.13 -1.00 0.00 0.00 179.01 177.01 2wa5 n SER 188 N -3.61 2.03 -4.73 1.42 3.41 -0.47 -4.94 113.62 106.73 2wa5 n SER 188 Ca -0.01 -1.69 -0.35 0.00 -0.26 0.00 0.00 58.87 56.57 2wa5 n SER 188 Cb 0.42 -0.03 0.09 0.00 -0.26 0.00 0.00 64.21 64.43 2wa5 n SER 188 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2wa5 s TRP 189 N -1.95 2.07 -0.32 7.33 0.51 -0.83 -4.96 118.94 120.80 2wa5 s TRP 189 Ca 0.35 1.58 -0.26 0.00 -2.12 0.00 0.00 56.10 55.65 2wa5 s TRP 189 Cb 0.20 -3.51 0.01 0.00 -0.81 0.00 0.00 33.47 29.36 2wa5 s TRP 189 CO 0.32 -2.64 0.91 0.34 -0.51 0.00 0.00 176.95 175.37 2wa5 s ASP 190 N -1.89 6.76 0.57 2.95 -1.08 -1.26 -4.92 116.67 117.80 2wa5 s ASP 190 Ca 0.76 0.79 0.38 0.00 -0.52 0.00 0.00 52.55 53.96 2wa5 s ASP 190 Cb -0.31 -2.46 1.99 0.00 -1.46 0.00 0.00 42.92 40.68 2wa5 s ASP 190 CO 0.43 -0.74 2.16 1.55 0.52 0.00 0.00 175.17 179.10 2wa5 h PRO 191 N 8.14 0.00 -0.45 4.34 0.13 -1.93 -0.42 132.00 141.82 2wa5 h PRO 191 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2wa5 h PRO 191 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2wa5 h PRO 191 CO 0.95 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.76 2wa5 n GLN 192 N -2.90 2.07 -2.80 0.86 1.13 -1.26 -3.94 117.38 110.54 2wa5 n GLN 192 Ca -0.02 -1.44 -0.27 0.00 -1.94 0.00 0.00 57.00 53.33 2wa5 n GLN 192 Cb 0.11 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 2wa5 n GLN 192 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wa5 n LYS 193 N 0.60 3.28 -0.22 -1.09 4.76 -0.17 -4.95 118.16 120.37 2wa5 n LYS 193 Ca 0.13 -4.74 -0.08 0.00 -2.87 0.00 0.00 58.31 50.75 2wa5 n LYS 193 Cb 0.39 -2.23 0.03 0.00 -1.84 0.00 0.00 35.03 31.37 2wa5 n LYS 193 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2wa5 h PRO 194 N 2.86 0.98 -0.39 1.97 0.13 -1.73 -1.80 132.00 134.02 2wa5 h PRO 194 Ca 0.18 -0.24 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2wa5 h PRO 194 Cb 0.64 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 2wa5 h PRO 194 CO 0.82 0.90 0.24 0.28 -0.23 0.00 0.00 178.00 180.01 2wa5 h VAL 195 N 0.90 1.12 -0.28 1.56 2.07 -1.90 0.85 116.25 120.57 2wa5 h VAL 195 Ca 0.19 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.46 2wa5 h VAL 195 Cb 0.36 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2wa5 h VAL 195 CO 0.00 0.12 0.10 0.44 0.02 0.00 0.00 177.57 178.25 2wa5 h ASP 196 N 0.52 0.10 0.10 0.57 3.32 -1.93 -0.76 116.42 118.33 2wa5 h ASP 196 Ca 0.14 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2wa5 h ASP 196 Cb -0.01 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2wa5 h ASP 196 CO -0.03 0.09 -0.09 0.78 -1.72 0.00 0.00 179.24 178.28 2wa5 h ASN 197 N 0.22 -0.23 -0.51 6.45 2.35 -1.03 -1.99 115.58 120.84 2wa5 h ASN 197 Ca 0.12 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2wa5 h ASN 197 Cb 0.09 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 2wa5 h ASN 197 CO -0.13 -0.14 0.22 0.00 -1.65 0.00 0.00 177.43 175.73 2wa5 h ALA 198 N 0.69 0.66 -0.23 -0.83 0.00 -0.76 -1.80 119.26 116.99 2wa5 h ALA 198 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2wa5 h ALA 198 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2wa5 h ALA 198 CO -0.02 0.25 0.08 -0.09 0.00 0.00 0.00 179.25 179.47 2wa5 h ARG 199 N 0.68 0.35 0.04 0.00 2.43 -1.12 -0.74 114.38 116.01 2wa5 h ARG 199 Ca 0.17 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2wa5 h ARG 199 Cb 0.16 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2wa5 h ARG 199 CO -0.02 0.42 -0.05 1.49 -1.51 0.00 0.00 179.97 180.30 2wa5 h GLU 200 N 0.21 -0.11 -0.08 0.20 4.57 -1.24 -0.18 114.58 117.96 2wa5 h GLU 200 Ca 0.08 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2wa5 h GLU 200 Cb 0.21 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2wa5 h GLU 200 CO -0.00 -0.07 0.05 0.00 -1.18 0.00 0.00 179.01 177.81 2wa5 h ALA 201 N 0.85 0.11 -0.13 2.92 0.00 -1.26 -1.57 119.26 120.17 2wa5 h ALA 201 Ca 0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2wa5 h ALA 201 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2wa5 h ALA 201 CO -0.03 -0.38 -0.54 0.52 0.00 0.00 0.00 179.25 178.82 2wa5 h MET 202 N 0.08 0.38 -0.45 0.00 2.86 -1.08 -0.92 114.93 115.79 2wa5 h MET 202 Ca 0.03 -0.23 -0.14 0.00 -2.06 0.00 0.00 59.70 57.30 2wa5 h MET 202 Cb 0.03 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2wa5 h MET 202 CO -0.01 0.82 -0.26 0.37 1.06 0.00 0.00 176.91 178.89 2wa5 h GLN 203 N 0.29 0.97 -0.47 1.72 5.75 -0.98 -0.90 115.11 121.50 2wa5 h GLN 203 Ca 0.01 -0.44 0.01 0.00 -0.15 0.00 0.00 58.65 58.07 2wa5 h GLN 203 Cb 1.04 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.55 2wa5 h GLN 203 CO 0.09 1.11 0.30 1.96 -2.65 0.00 0.00 178.83 179.64 2wa5 h GLN 204 N 0.81 0.58 -0.77 1.69 1.08 -1.11 0.96 115.11 118.36 2wa5 h GLN 204 Ca 0.09 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2wa5 h GLN 204 Cb 0.85 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.11 2wa5 h GLN 204 CO 0.07 0.39 0.42 0.00 -0.95 0.00 0.00 178.83 178.76 2wa5 h ALA 205 N 1.19 1.28 0.26 3.87 0.00 -1.09 0.24 119.26 125.00 2wa5 h ALA 205 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wa5 h ALA 205 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2wa5 h ALA 205 CO -0.06 0.58 -0.12 0.22 0.00 0.00 0.00 179.25 179.87 2wa5 h ASP 206 N 1.08 -0.29 -0.69 0.00 1.82 -0.83 -0.83 116.42 116.68 2wa5 h ASP 206 Ca 0.27 -0.21 -0.08 0.00 -0.39 0.00 0.00 57.03 56.62 2wa5 h ASP 206 Cb 0.03 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.09 2wa5 h ASP 206 CO -0.04 0.09 0.13 0.44 -1.61 0.00 0.00 179.24 178.24 2wa5 h ASP 207 N -0.72 1.08 0.00 2.28 3.32 -0.72 -3.18 116.42 118.48 2wa5 h ASP 207 Ca -0.04 -0.25 -0.30 0.00 0.02 0.00 0.00 57.03 56.46 2wa5 h ASP 207 Cb 0.49 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 2wa5 h ASP 207 CO 0.06 1.06 -2.13 0.79 -1.72 0.00 0.00 179.24 177.29 2wa5 n TRP 208 N -4.22 0.00 0.13 4.55 7.02 0.06 -4.66 117.44 120.32 2wa5 n TRP 208 Ca 0.05 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.62 2wa5 n TRP 208 Cb 0.29 -0.78 0.18 0.00 -2.42 0.00 0.00 31.31 28.58 2wa5 n TRP 208 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2wa5 n LEU 209 N -2.97 3.15 -2.38 -0.99 4.77 -0.54 -4.97 117.00 113.07 2wa5 n LEU 209 Ca -0.33 -1.61 -0.18 0.00 -0.03 0.00 0.00 56.01 53.86 2wa5 n LEU 209 Cb 0.91 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 2wa5 n LEU 209 CO 0.24 0.71 -0.23 0.61 -1.33 0.00 0.00 177.39 177.38 2wa5 n GLY 210 N 1.13 -0.42 3.48 -0.72 0.00 -0.95 -4.95 105.19 102.77 2wa5 n GLY 210 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2wa5 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wa5 s VAL 211 N -2.89 4.98 0.47 1.61 1.01 -0.43 -4.96 120.40 120.18 2wa5 s VAL 211 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 2wa5 s VAL 211 Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 2wa5 s VAL 211 CO 0.00 -0.55 1.26 -2.84 0.00 0.00 0.00 175.10 172.97 2wa5 s PRO 212 N 2.39 3.65 -1.35 2.72 0.02 -1.26 -3.22 135.00 137.94 2wa5 s PRO 212 Ca 0.15 2.02 -0.12 0.00 0.02 0.00 0.00 61.00 63.07 2wa5 s PRO 212 Cb -0.17 -2.47 0.11 0.00 0.02 0.00 0.00 34.50 31.99 2wa5 s PRO 212 CO 0.14 -0.71 2.01 1.04 -0.33 0.00 0.00 177.00 179.16 2wa5 n GLN 213 N -0.44 3.29 0.27 5.54 6.02 -1.26 -4.69 117.38 126.10 2wa5 n GLN 213 Ca 0.07 -3.14 0.15 0.00 -0.01 0.00 0.00 57.00 54.06 2wa5 n GLN 213 Cb 0.46 -3.09 0.69 0.00 1.02 0.00 0.00 30.24 29.32 2wa5 n GLN 213 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2wa5 h VAL 214 N 3.91 0.31 -3.59 5.09 -1.51 -1.92 -3.39 116.25 115.14 2wa5 h VAL 214 Ca 0.47 -0.63 -0.67 0.00 -1.23 0.00 0.00 66.70 64.64 2wa5 h VAL 214 Cb 0.64 1.48 -0.18 0.00 -2.13 0.00 0.00 31.29 31.10 2wa5 h VAL 214 CO 1.72 0.09 -0.80 -0.51 -1.23 0.00 0.00 177.57 176.85 2wa5 s ILE 215 N -3.86 2.80 0.27 7.19 2.07 -1.26 -4.07 121.20 124.34 2wa5 s ILE 215 Ca -0.01 -1.59 0.00 0.00 -1.41 0.00 0.00 60.65 57.64 2wa5 s ILE 215 Cb 0.11 -2.30 -0.04 0.00 0.13 0.00 0.00 42.46 40.36 2wa5 s ILE 215 CO 0.57 0.05 0.46 0.42 -1.91 0.00 0.00 174.94 174.53 2wa5 s THR 216 N -1.26 5.16 0.24 4.00 -4.23 -1.26 -4.94 115.64 113.34 2wa5 s THR 216 Ca 0.19 -0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 2wa5 s THR 216 Cb -0.10 -3.80 0.20 0.00 1.34 0.00 0.00 72.50 70.15 2wa5 s THR 216 CO 0.10 -0.35 1.72 -0.65 -0.54 0.00 0.00 174.62 174.90 2wa5 h PRO 217 N 1.40 0.38 -0.34 3.99 0.11 -1.94 -0.46 132.00 135.13 2wa5 h PRO 217 Ca -0.49 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2wa5 h PRO 217 Cb 1.21 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2wa5 h PRO 217 CO 0.64 0.25 0.02 0.93 -0.21 0.00 0.00 178.00 179.63 2wa5 h GLU 218 N 0.39 0.53 -0.07 1.05 4.39 -1.95 -3.15 114.58 115.77 2wa5 h GLU 218 Ca 0.39 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 2wa5 h GLU 218 Cb 0.59 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2wa5 h GLU 218 CO -0.41 0.54 -0.27 0.93 -1.16 0.00 0.00 179.01 178.65 2wa5 h GLU 219 N 0.51 0.31 0.00 2.33 5.08 -1.74 -3.14 114.58 117.92 2wa5 h GLU 219 Ca 0.11 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2wa5 h GLU 219 Cb 0.30 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2wa5 h GLU 219 CO 0.01 0.87 -0.31 0.97 -1.00 0.00 0.00 179.01 179.54 2wa5 h ILE 220 N -0.19 1.16 -0.02 3.13 2.10 -1.09 -1.90 117.51 120.71 2wa5 h ILE 220 Ca -0.01 -1.08 0.00 0.00 1.08 0.00 0.00 64.86 64.84 2wa5 h ILE 220 Cb 0.90 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 38.22 2wa5 h ILE 220 CO 0.06 0.30 -0.02 2.30 -1.08 0.00 0.00 178.15 179.71 2wa5 n ILE 221 N -4.08 0.00 -1.69 2.19 -6.64 -1.19 -4.75 119.36 103.19 2wa5 n ILE 221 Ca -0.02 -0.34 -0.44 0.00 -1.77 0.00 0.00 62.75 60.18 2wa5 n ILE 221 Cb 0.36 0.90 -0.03 0.00 -1.44 0.00 0.00 39.64 39.43 2wa5 n ILE 221 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 2wa5 n HIS 222 N 0.60 2.49 0.28 4.28 -0.00 -0.71 -4.85 115.22 117.30 2wa5 n HIS 222 Ca 0.17 0.21 0.18 0.00 0.46 0.00 0.00 57.72 58.74 2wa5 n HIS 222 Cb 0.45 -2.58 0.96 0.00 -0.12 0.00 0.00 29.99 28.70 2wa5 n HIS 222 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2wa5 h PRO 223 N 5.88 0.00 -0.52 1.57 0.13 -1.92 0.17 132.00 137.31 2wa5 h PRO 223 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wa5 h PRO 223 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2wa5 h PRO 223 CO 0.89 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.19 2wa5 n ASP 224 N -3.44 3.55 -4.75 1.44 2.03 -1.26 -5.01 116.55 109.11 2wa5 n ASP 224 Ca -0.01 -1.99 -0.41 0.00 0.52 0.00 0.00 54.79 52.90 2wa5 n ASP 224 Cb 0.22 -0.34 0.01 0.00 -0.72 0.00 0.00 41.12 40.29 2wa5 n ASP 224 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2wa5 n VAL 225 N 1.50 2.44 -3.32 5.18 3.14 0.05 -4.24 118.33 123.07 2wa5 n VAL 225 Ca 0.21 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.80 2wa5 n VAL 225 Cb 0.60 -1.79 -0.03 0.00 -1.06 0.00 0.00 33.84 31.55 2wa5 n VAL 225 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 2wa5 s ASP 226 N -0.37 6.47 0.31 6.55 -4.77 -1.26 -4.88 116.67 118.71 2wa5 s ASP 226 Ca 0.58 0.76 0.02 0.00 -3.30 0.00 0.00 52.55 50.61 2wa5 s ASP 226 Cb -0.48 -2.16 0.50 0.00 -1.09 0.00 0.00 42.92 39.68 2wa5 s ASP 226 CO 0.60 -0.19 1.82 -0.33 0.70 0.00 0.00 175.17 177.76 2wa5 h GLU 227 N 1.74 0.60 -0.64 2.11 5.08 -1.94 -3.13 114.58 118.39 2wa5 h GLU 227 Ca -0.48 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 2wa5 h GLU 227 Cb 1.19 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2wa5 h GLU 227 CO 0.66 0.64 0.37 0.45 -1.00 0.00 0.00 179.01 180.14 2wa5 h HIS 228 N 0.56 0.86 -0.53 4.33 3.86 -1.95 0.95 115.15 123.24 2wa5 h HIS 228 Ca 0.11 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2wa5 h HIS 228 Cb 0.41 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 2wa5 h HIS 228 CO 0.02 0.60 0.33 0.77 0.86 0.00 0.00 177.93 180.51 2wa5 h SER 229 N 0.87 0.56 -0.37 2.45 0.02 -1.93 -0.96 113.55 114.20 2wa5 h SER 229 Ca 0.23 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2wa5 h SER 229 Cb 0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2wa5 h SER 229 CO -0.04 0.40 -0.25 0.58 -1.14 0.00 0.00 176.83 176.38 2wa5 h VAL 230 N 0.68 1.28 -0.84 2.27 2.07 -1.40 -2.98 116.25 117.32 2wa5 h VAL 230 Ca 0.20 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2wa5 h VAL 230 Cb -0.04 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2wa5 h VAL 230 CO -0.06 0.46 0.54 0.24 0.02 0.00 0.00 177.57 178.77 2wa5 h MET 231 N 0.62 1.12 -0.42 1.57 2.86 -0.64 -0.08 114.93 119.95 2wa5 h MET 231 Ca 0.07 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2wa5 h MET 231 Cb 0.82 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 2wa5 h MET 231 CO 0.07 0.76 0.21 1.15 1.06 0.00 0.00 176.91 180.16 2wa5 h THR 232 N 1.15 0.97 0.10 2.22 2.02 -1.09 0.09 112.91 118.36 2wa5 h THR 232 Ca 0.31 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 2wa5 h THR 232 Cb -0.10 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2wa5 h THR 232 CO -0.06 0.08 -0.05 0.22 0.37 0.00 0.00 175.52 176.08 2wa5 h TYR 233 N 0.42 -0.12 0.00 3.16 3.20 -1.32 -3.32 116.97 118.99 2wa5 h TYR 233 Ca 0.18 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 2wa5 h TYR 233 Cb 0.08 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2wa5 h TYR 233 CO -0.10 0.30 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.32 2wa5 h LEU 234 N -0.59 0.00 -2.21 2.82 3.38 -0.94 -2.54 115.31 115.23 2wa5 h LEU 234 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wa5 h LEU 234 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2wa5 h LEU 234 CO 0.02 0.33 0.02 0.77 0.09 0.00 0.00 178.44 179.67 2wa5 h SER 235 N 0.00 0.00 0.88 -0.43 4.64 -1.07 -1.77 113.55 115.80 2wa5 h SER 235 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2wa5 h SER 235 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2wa5 h SER 235 CO 0.04 0.00 -0.24 1.56 -0.87 0.00 0.00 176.83 177.32 2wa5 h GLN 236 N 0.00 0.00 -0.01 4.77 4.20 -1.60 -3.34 115.11 119.13 2wa5 h GLN 236 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wa5 h GLN 236 Cb 0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2wa5 h GLN 236 CO 0.00 0.24 -0.00 0.74 -0.67 0.00 0.00 178.83 179.14 2wa5 h PHE 237 N 0.00 0.01 0.00 2.96 0.04 -1.51 -3.19 116.94 115.25 2wa5 h PHE 237 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2wa5 h PHE 237 Cb 0.75 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2wa5 h PHE 237 CO 0.00 0.40 0.00 -2.30 -0.60 0.00 0.00 178.31 175.81 2wa5 n PRO 238 N -4.89 0.00 -3.45 1.51 -0.02 -1.25 -3.47 135.00 123.42 2wa5 n PRO 238 Ca -0.08 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.96 2wa5 n PRO 238 Cb 0.21 -1.00 -0.05 0.00 -0.02 0.00 0.00 33.50 32.64 2wa5 n PRO 238 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wa5 s LYS 239 N -1.23 3.24 0.00 -0.52 3.01 -1.21 -4.51 119.74 118.52 2wa5 s LYS 239 Ca 0.00 -2.43 0.00 0.00 -1.01 0.00 0.00 55.97 52.53 2wa5 s LYS 239 Cb 0.00 -4.20 0.00 0.00 -1.01 0.00 0.00 37.83 32.62 2wa5 s LYS 239 CO 0.00 -1.26 0.00 0.00 0.51 0.00 0.00 175.35 174.60 2wa5 n ALA 240 N 3.91 0.00 0.22 5.17 0.00 -1.26 -4.80 120.51 123.75 2wa5 n ALA 240 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.64 2wa5 n ALA 240 Cb 0.44 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.36 2wa5 n ALA 240 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wa5 h LYS 241 N 0.00 0.00 0.00 0.00 1.79 -1.85 -3.50 116.57 113.02 2wa5 h LYS 241 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2wa5 h LYS 241 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2wa5 h LYS 241 CO 0.00 0.22 0.00 1.28 -1.08 0.00 0.00 179.45 179.87