#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa6 n ALA 9 N 0.00 5.76 -0.16 -1.18 0.00 -1.26 -4.83 120.51 118.85 2wa6 n ALA 9 Ca 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 53.44 49.40 2wa6 n ALA 9 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2wa6 n ALA 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wa6 n GLU 10 N -0.60 0.83 -3.26 0.00 1.02 -1.26 -4.61 120.64 112.77 2wa6 n GLU 10 Ca 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.58 2wa6 n GLU 10 Cb 0.56 -1.08 -0.04 0.00 -0.02 0.00 0.00 31.44 30.85 2wa6 n GLU 10 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wa6 s ASP 11 N 1.79 -0.33 -0.24 1.62 3.68 -1.26 -4.97 116.67 116.96 2wa6 s ASP 11 Ca 0.00 0.06 -0.00 0.00 2.13 0.00 0.00 52.55 54.74 2wa6 s ASP 11 Cb 0.00 1.46 0.00 0.00 -1.45 0.00 0.00 42.92 42.93 2wa6 s ASP 11 CO 0.00 -0.32 0.05 0.00 0.13 0.00 0.00 175.17 175.04 2wa6 n ALA 12 N 5.38 -0.12 -1.06 3.66 0.00 -1.26 -5.07 120.51 122.04 2wa6 n ALA 12 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2wa6 n ALA 12 Cb 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2wa6 n ALA 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wa6 n PRO 13 N -1.24 1.29 -0.10 0.00 -0.05 -1.26 -4.76 135.00 128.87 2wa6 n PRO 13 Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 63.50 63.51 2wa6 n PRO 13 Cb 0.52 0.00 0.43 0.00 -0.05 0.00 0.00 33.50 34.40 2wa6 n PRO 13 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 175.50 175.56 2wa6 h TRP 14 N 0.00 0.57 -0.41 0.54 5.08 -1.94 -2.57 115.95 117.21 2wa6 h TRP 14 Ca 0.00 0.01 0.04 0.00 1.08 0.00 0.00 58.89 60.03 2wa6 h TRP 14 Cb 0.00 -0.19 -0.04 0.00 -3.00 0.00 0.00 29.16 25.93 2wa6 h TRP 14 CO 0.00 0.30 0.16 0.87 -1.28 0.00 0.00 178.44 178.49 2wa6 h LYS 15 N 0.56 0.33 -0.20 0.12 1.57 -1.91 0.47 116.57 117.51 2wa6 h LYS 15 Ca 0.26 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.91 2wa6 h LYS 15 Cb 0.31 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2wa6 h LYS 15 CO -0.08 0.22 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.49 2wa6 h LYS 16 N 0.34 0.57 -0.70 3.15 1.63 -1.82 -2.06 116.57 117.68 2wa6 h LYS 16 Ca 0.18 -0.34 0.13 0.00 -0.85 0.00 0.00 60.65 59.77 2wa6 h LYS 16 Cb 0.15 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 31.72 2wa6 h LYS 16 CO -0.17 0.95 0.24 0.82 -3.45 0.00 0.00 179.45 177.83 2wa6 h ILE 17 N 0.24 0.66 -0.24 2.00 2.04 -1.36 0.16 117.51 121.00 2wa6 h ILE 17 Ca 0.02 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2wa6 h ILE 17 Cb 0.90 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2wa6 h ILE 17 CO 0.07 0.07 -0.06 -0.61 0.00 0.00 0.00 178.15 177.62 2wa6 h GLN 18 N 0.38 0.47 -0.26 2.37 4.15 -0.87 0.59 115.11 121.94 2wa6 h GLN 18 Ca 0.37 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.64 2wa6 h GLN 18 Cb 0.56 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 2wa6 h GLN 18 CO -0.40 0.69 0.08 0.37 -1.93 0.00 0.00 178.83 177.65 2wa6 h GLN 19 N 0.21 0.20 -0.28 1.69 4.15 -1.04 -0.39 115.11 119.65 2wa6 h GLN 19 Ca 0.06 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.53 2wa6 h GLN 19 Cb 0.52 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.10 2wa6 h GLN 19 CO 0.02 0.13 -0.13 -0.91 -1.93 0.00 0.00 178.83 176.01 2wa6 h ASN 20 N 0.20 -0.44 -0.30 -0.69 2.35 -0.50 -0.82 115.58 115.38 2wa6 h ASN 20 Ca 0.12 0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 2wa6 h ASN 20 Cb 0.09 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2wa6 h ASN 20 CO -0.13 -0.16 -0.12 0.74 -1.65 0.00 0.00 177.43 176.11 2wa6 h THR 21 N -0.09 1.29 -0.49 2.81 2.02 -0.67 -1.45 112.91 116.33 2wa6 h THR 21 Ca 0.15 -1.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 2wa6 h THR 21 Cb 0.31 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2wa6 h THR 21 CO -0.34 0.38 0.09 -0.26 0.37 0.00 0.00 175.52 175.77 2wa6 h PHE 22 N 0.36 0.78 -0.23 3.16 -1.00 -1.01 -1.26 116.94 117.73 2wa6 h PHE 22 Ca 0.07 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 2wa6 h PHE 22 Cb 0.63 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 2wa6 h PHE 22 CO 0.06 0.67 0.02 1.15 -1.61 0.00 0.00 178.31 178.61 2wa6 h THR 23 N 0.72 1.24 -0.69 -1.55 2.02 -0.88 -1.96 112.91 111.81 2wa6 h THR 23 Ca 0.16 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 2wa6 h THR 23 Cb 0.31 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 2wa6 h THR 23 CO 0.00 0.25 0.40 0.03 0.37 0.00 0.00 175.52 176.58 2wa6 h ARG 24 N 0.17 0.95 -0.08 6.66 3.08 -1.01 -0.53 114.38 123.63 2wa6 h ARG 24 Ca 0.07 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wa6 h ARG 24 Cb 0.35 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2wa6 h ARG 24 CO 0.01 0.69 0.03 2.35 -1.07 0.00 0.00 179.97 181.98 2wa6 h TRP 25 N 0.95 0.05 -0.75 3.04 7.01 -1.20 0.50 115.95 125.55 2wa6 h TRP 25 Ca 0.25 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.31 2wa6 h TRP 25 Cb -0.00 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 26.99 2wa6 h TRP 25 CO -0.01 0.03 0.44 0.00 -2.79 0.00 0.00 178.44 176.11 2wa6 h ASN 27 N 0.81 0.59 -0.74 0.00 2.35 -0.69 0.35 115.58 118.25 2wa6 h ASN 27 Ca 0.33 -0.22 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 2wa6 h ASN 27 Cb 0.19 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 2wa6 h ASN 27 CO -0.18 0.85 0.48 -0.33 -1.65 0.00 0.00 177.43 176.60 2wa6 h GLU 28 N 0.51 0.82 0.10 0.81 4.39 -0.58 -1.08 114.58 119.55 2wa6 h GLU 28 Ca 0.07 -0.05 -0.28 0.00 0.34 0.00 0.00 59.36 59.44 2wa6 h GLU 28 Cb 0.73 -0.18 0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2wa6 h GLU 28 CO 0.06 0.54 -1.14 0.45 -1.16 0.00 0.00 179.01 177.76 2wa6 h HIS 29 N 0.84 0.95 0.00 4.33 3.86 -1.25 -3.33 115.15 120.56 2wa6 h HIS 29 Ca 0.30 -0.59 -0.03 0.00 -1.16 0.00 0.00 60.37 58.89 2wa6 h HIS 29 Cb 0.14 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 2wa6 h HIS 29 CO -0.00 1.43 -0.16 -0.07 0.86 0.00 0.00 177.93 179.99 2wa6 h LEU 30 N 0.20 0.00 -0.83 2.43 3.38 -0.71 -3.11 115.31 116.67 2wa6 h LEU 30 Ca -0.17 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.01 2wa6 h LEU 30 Cb 1.83 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.44 2wa6 h LEU 30 CO 0.22 0.16 0.17 0.11 0.09 0.00 0.00 178.44 179.19 2wa6 h LYS 31 N 0.00 0.19 0.00 1.13 1.57 -1.23 -1.13 116.57 117.10 2wa6 h LYS 31 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wa6 h LYS 31 Cb 0.45 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2wa6 h LYS 31 CO 0.02 0.13 -0.02 0.00 -0.57 0.00 0.00 179.45 179.01 2wa6 n VAL 33 N -3.17 2.17 -3.33 0.00 0.24 -0.47 -5.00 118.33 108.77 2wa6 n VAL 33 Ca -0.01 -2.74 -0.21 0.00 -2.04 0.00 0.00 64.34 59.34 2wa6 n VAL 33 Cb 0.20 -0.25 0.06 0.00 -1.47 0.00 0.00 33.84 32.38 2wa6 n VAL 33 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2wa6 n ASN 34 N -1.17 -5.79 -4.33 -1.34 5.15 -0.75 -5.00 115.26 102.02 2wa6 n ASN 34 Ca 0.21 -0.42 -0.17 0.00 -0.60 0.00 0.00 54.58 53.59 2wa6 n ASN 34 Cb 0.75 -4.46 -0.10 0.00 -0.53 0.00 0.00 39.78 35.44 2wa6 n ASN 34 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wa6 s LYS 35 N -6.01 1.37 -0.17 1.20 1.02 -0.94 -5.03 119.74 111.18 2wa6 s LYS 35 Ca 0.46 -1.71 -0.29 0.00 0.02 0.00 0.00 55.97 54.45 2wa6 s LYS 35 Cb -0.20 -0.53 0.10 0.00 -0.52 0.00 0.00 37.83 36.68 2wa6 s LYS 35 CO 0.57 -0.16 0.89 0.50 -0.92 0.00 0.00 175.35 176.23 2wa6 s ARG 36 N -3.91 0.73 -0.22 1.68 3.52 -1.26 -3.48 118.95 116.01 2wa6 s ARG 36 Ca 0.31 0.37 -0.07 0.00 -0.13 0.00 0.00 55.73 56.21 2wa6 s ARG 36 Cb 0.07 0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.77 2wa6 s ARG 36 CO 0.10 -0.19 0.06 0.42 -0.81 0.00 0.00 175.30 174.88 2wa6 s ILE 37 N -0.67 4.45 -0.03 4.11 1.01 -1.26 -4.98 121.20 123.84 2wa6 s ILE 37 Ca -0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 2wa6 s ILE 37 Cb -0.02 -3.05 -0.28 0.00 0.01 0.00 0.00 42.46 39.13 2wa6 s ILE 37 CO 0.02 0.39 0.74 1.23 0.00 0.00 0.00 174.94 177.32 2wa6 h GLY 38 N 7.57 0.32 -6.80 6.18 0.00 -1.98 -3.46 103.07 104.88 2wa6 h GLY 38 Ca -0.37 -0.81 -0.32 0.00 0.00 0.00 0.00 47.33 45.83 2wa6 h GLY 38 CO 0.62 0.71 -0.63 0.21 0.00 0.00 0.00 176.54 177.45 2wa6 s ASN 39 N -7.02 1.33 0.45 0.19 3.84 -1.26 -5.04 114.94 107.44 2wa6 s ASN 39 Ca -0.12 -0.14 0.12 0.00 0.21 0.00 0.00 52.86 52.93 2wa6 s ASN 39 Cb 0.06 0.33 1.05 0.00 -0.55 0.00 0.00 41.25 42.14 2wa6 s ASN 39 CO 0.84 -0.31 2.07 0.25 -2.79 0.00 0.00 177.10 177.16 2wa6 h LEU 40 N 8.33 0.28 -1.35 3.21 5.85 -1.94 0.06 115.31 129.75 2wa6 h LEU 40 Ca -0.16 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2wa6 h LEU 40 Cb 1.15 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2wa6 h LEU 40 CO 0.26 0.20 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.92 2wa6 h GLN 41 N 0.33 0.40 0.00 1.25 4.15 -1.96 -3.34 115.11 115.94 2wa6 h GLN 41 Ca 0.14 -0.08 -0.16 0.00 0.77 0.00 0.00 58.65 59.32 2wa6 h GLN 41 Cb 0.14 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 2wa6 h GLN 41 CO -0.03 0.45 -1.61 0.25 -1.93 0.00 0.00 178.83 175.96 2wa6 n THR 42 N -4.30 0.61 1.58 2.39 -2.24 -0.93 -4.21 114.28 107.18 2wa6 n THR 42 Ca 0.01 -0.37 0.14 0.00 -2.27 0.00 0.00 64.05 61.55 2wa6 n THR 42 Cb 0.23 -0.77 0.59 0.00 -2.10 0.00 0.00 70.33 68.29 2wa6 n THR 42 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wa6 n ASP 43 N -2.34 1.17 -0.39 3.42 8.00 -0.04 -2.16 116.55 124.21 2wa6 n ASP 43 Ca -0.15 -1.42 0.09 0.00 0.71 0.00 0.00 54.79 54.02 2wa6 n ASP 43 Cb 0.79 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.87 2wa6 n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wa6 n LEU 44 N -0.08 1.70 0.20 0.64 4.77 -1.26 -4.51 117.00 118.46 2wa6 n LEU 44 Ca 0.19 -0.76 0.07 0.00 -0.03 0.00 0.00 56.01 55.48 2wa6 n LEU 44 Cb 0.29 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.74 2wa6 n LEU 44 CO 0.16 0.32 0.71 0.28 -1.33 0.00 0.00 177.39 177.53 2wa6 h SER 45 N 1.90 0.00 -0.02 -1.43 0.02 -1.62 -0.78 113.55 111.62 2wa6 h SER 45 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wa6 h SER 45 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2wa6 h SER 45 CO 0.00 0.33 0.00 -0.90 -1.14 0.00 0.00 176.83 175.12 2wa6 n ASP 46 N -3.46 0.89 0.00 3.07 5.68 -1.26 -4.19 116.55 117.29 2wa6 n ASP 46 Ca 0.00 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 2wa6 n ASP 46 Cb 0.50 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 2wa6 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wa6 n GLY 47 N 1.09 3.05 0.19 6.12 0.00 -0.30 -4.63 105.19 110.71 2wa6 n GLY 47 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 2wa6 n GLY 47 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wa6 h LEU 48 N 0.00 0.61 -0.87 0.99 3.38 -1.90 -0.38 115.31 117.14 2wa6 h LEU 48 Ca 0.00 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 2wa6 h LEU 48 Cb 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2wa6 h LEU 48 CO 0.00 0.92 -0.54 0.03 0.09 0.00 0.00 178.44 178.94 2wa6 h ARG 49 N 0.30 0.08 -0.05 1.13 3.08 -1.88 -1.35 114.38 115.70 2wa6 h ARG 49 Ca 0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2wa6 h ARG 49 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2wa6 h ARG 49 CO 0.05 0.60 0.01 1.25 -1.07 0.00 0.00 179.97 180.81 2wa6 h LEU 50 N 0.06 0.08 -0.46 3.04 5.85 -1.78 -1.20 115.31 120.90 2wa6 h LEU 50 Ca -0.00 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2wa6 h LEU 50 Cb 0.97 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2wa6 h LEU 50 CO 0.07 0.28 0.18 0.40 -0.34 0.00 0.00 178.44 179.04 2wa6 h ILE 51 N -0.13 0.88 -0.66 4.05 2.04 -0.94 -0.89 117.51 121.85 2wa6 h ILE 51 Ca 0.02 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2wa6 h ILE 51 Cb 0.24 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2wa6 h ILE 51 CO 0.00 0.07 0.40 0.00 0.00 0.00 0.00 178.15 178.62 2wa6 h ALA 52 N 1.29 0.85 -0.40 1.87 0.00 -1.22 -1.23 119.26 120.42 2wa6 h ALA 52 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2wa6 h ALA 52 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wa6 h ALA 52 CO -0.20 0.32 0.22 1.25 0.00 0.00 0.00 179.25 180.84 2wa6 h LEU 53 N 0.90 0.49 -1.04 0.00 5.85 -0.88 -1.91 115.31 118.71 2wa6 h LEU 53 Ca 0.24 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2wa6 h LEU 53 Cb -0.03 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2wa6 h LEU 53 CO -0.05 0.43 0.29 -0.07 -0.34 0.00 0.00 178.44 178.71 2wa6 h LEU 54 N 0.52 0.89 -0.42 2.25 3.38 -0.89 -1.40 115.31 119.63 2wa6 h LEU 54 Ca 0.14 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2wa6 h LEU 54 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2wa6 h LEU 54 CO -0.02 0.77 -0.09 -0.33 0.09 0.00 0.00 178.44 178.86 2wa6 h GLU 55 N 0.96 0.80 -0.03 1.13 5.08 -1.01 -1.19 114.58 120.32 2wa6 h GLU 55 Ca 0.23 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2wa6 h GLU 55 Cb 0.15 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2wa6 h GLU 55 CO -0.02 0.92 0.01 0.28 -1.00 0.00 0.00 179.01 179.20 2wa6 h VAL 56 N 0.62 1.13 -0.41 3.13 2.07 -1.05 0.23 116.25 121.97 2wa6 h VAL 56 Ca 0.11 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2wa6 h VAL 56 Cb 0.62 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2wa6 h VAL 56 CO 0.04 0.11 0.21 -0.07 0.02 0.00 0.00 177.57 177.87 2wa6 h LEU 57 N -0.10 0.53 0.00 2.57 3.38 -1.27 -3.14 115.31 117.28 2wa6 h LEU 57 Ca 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2wa6 h LEU 57 Cb 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wa6 h LEU 57 CO -0.00 0.50 -0.43 0.77 0.09 0.00 0.00 178.44 179.36 2wa6 h SER 58 N 0.53 0.00 -3.77 -0.43 4.64 -1.24 -3.48 113.55 109.80 2wa6 h SER 58 Ca 0.14 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.10 2wa6 h SER 58 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2wa6 h SER 58 CO -0.02 0.02 -0.50 0.00 -0.87 0.00 0.00 176.83 175.46 2wa6 n GLN 59 N -2.93 -2.71 -4.33 4.77 1.13 0.79 -5.01 117.38 109.10 2wa6 n GLN 59 Ca 0.02 0.83 -0.21 0.00 -1.94 0.00 0.00 57.00 55.70 2wa6 n GLN 59 Cb 0.55 -5.53 -0.13 0.00 0.11 0.00 0.00 30.24 25.23 2wa6 n GLN 59 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2wa6 s LYS 60 N -5.28 1.01 0.60 -1.09 1.02 -1.16 -5.05 119.74 109.79 2wa6 s LYS 60 Ca 0.10 -0.93 -0.13 0.00 0.02 0.00 0.00 55.97 55.04 2wa6 s LYS 60 Cb -0.05 -1.09 -0.05 0.00 -0.52 0.00 0.00 37.83 36.13 2wa6 s LYS 60 CO 0.13 0.26 1.02 1.03 -0.92 0.00 0.00 175.35 176.87 2wa6 s ARG 61 N -1.49 3.64 0.33 1.68 1.81 -1.26 -4.24 118.95 119.42 2wa6 s ARG 61 Ca 0.02 0.83 -0.29 0.00 -1.72 0.00 0.00 55.73 54.58 2wa6 s ARG 61 Cb -0.09 -2.09 -0.12 0.00 -0.45 0.00 0.00 34.95 32.20 2wa6 s ARG 61 CO 0.02 -0.54 1.45 -1.33 -0.68 0.00 0.00 175.30 174.23 2wa6 n MET 62 N -2.44 2.46 0.02 3.54 2.81 -1.26 -4.92 117.12 117.33 2wa6 n MET 62 Ca 0.06 0.87 0.11 0.00 -1.81 0.00 0.00 57.70 56.93 2wa6 n MET 62 Cb 0.54 -2.56 0.04 0.00 -0.71 0.00 0.00 33.22 30.53 2wa6 n MET 62 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 2wa6 n TYR 63 N 0.94 0.20 -4.07 2.03 4.11 -1.26 -4.90 117.16 114.21 2wa6 n TYR 63 Ca 0.05 0.06 -0.34 0.00 -0.00 0.00 0.00 57.90 57.67 2wa6 n TYR 63 Cb 0.37 -0.36 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 2wa6 n TYR 63 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2wa6 s ARG 64 N -3.15 3.18 0.63 -3.48 0.52 -1.26 -5.10 118.95 110.29 2wa6 s ARG 64 Ca 0.05 -0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 54.71 2wa6 s ARG 64 Cb 0.15 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.66 2wa6 s ARG 64 CO 0.79 0.68 1.17 0.15 0.02 0.00 0.00 175.30 178.12 2wa6 s LYS 65 N -1.51 2.83 0.25 3.54 1.02 -1.26 -5.06 119.74 119.55 2wa6 s LYS 65 Ca 0.21 1.66 -0.06 0.00 0.02 0.00 0.00 55.97 57.80 2wa6 s LYS 65 Cb -0.12 -1.93 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 2wa6 s LYS 65 CO 0.11 -1.28 0.33 1.52 -0.92 0.00 0.00 175.35 175.12 2wa6 s TYR 66 N -1.89 0.84 -0.37 3.18 1.13 -1.26 -5.01 117.35 113.96 2wa6 s TYR 66 Ca 0.73 -1.11 -0.23 0.00 -1.41 0.00 0.00 57.07 55.05 2wa6 s TYR 66 Cb -0.26 -0.19 0.01 0.00 -1.10 0.00 0.00 41.96 40.42 2wa6 s TYR 66 CO 0.36 -0.87 0.78 -1.01 -2.51 0.00 0.00 175.55 172.30 2wa6 s HIS 67 N -3.90 3.10 0.20 -3.49 3.76 -1.26 -4.93 115.29 108.77 2wa6 s HIS 67 Ca 0.31 0.50 0.16 0.00 -0.15 0.00 0.00 55.06 55.88 2wa6 s HIS 67 Cb 0.02 -3.42 0.60 0.00 1.11 0.00 0.00 32.58 30.89 2wa6 s HIS 67 CO 0.13 -0.76 1.71 1.96 -0.85 0.00 0.00 174.74 176.92 2wa6 h GLN 68 N 8.54 0.00 -2.89 1.40 4.20 -1.99 -3.31 115.11 121.07 2wa6 h GLN 68 Ca -0.25 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.85 2wa6 h GLN 68 Cb 1.09 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 28.46 2wa6 h GLN 68 CO 0.91 0.43 -0.61 0.54 -0.67 0.00 0.00 178.83 179.43 2wa6 n ARG 69 N -3.62 1.79 -1.53 1.46 1.74 -1.26 -5.02 116.66 110.22 2wa6 n ARG 69 Ca -0.01 -4.40 -0.40 0.00 -0.77 0.00 0.00 57.85 52.27 2wa6 n ARG 69 Cb 0.53 -2.22 -0.01 0.00 -1.02 0.00 0.00 32.46 29.74 2wa6 n ARG 69 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2wa6 n PRO 70 N 1.86 3.21 0.22 5.56 -0.04 -1.25 -4.68 135.00 139.88 2wa6 n PRO 70 Ca 0.22 -2.40 0.10 0.00 -0.04 0.00 0.00 63.50 61.38 2wa6 n PRO 70 Cb 0.37 -3.06 0.37 0.00 -0.04 0.00 0.00 33.50 31.14 2wa6 n PRO 70 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wa6 h THR 71 N 3.56 0.39 -3.14 0.52 1.35 -1.95 -3.41 112.91 110.22 2wa6 h THR 71 Ca 0.71 -1.17 -0.65 0.00 -0.55 0.00 0.00 66.41 64.74 2wa6 h THR 71 Cb 0.48 1.88 -0.10 0.00 -1.73 0.00 0.00 68.15 68.68 2wa6 h THR 71 CO 1.84 0.18 -0.59 -0.36 -0.25 0.00 0.00 175.52 176.35 2wa6 s PHE 72 N -3.44 3.25 0.23 4.73 0.08 -1.26 -5.03 117.98 116.54 2wa6 s PHE 72 Ca 0.03 0.17 -0.06 0.00 0.12 0.00 0.00 56.93 57.19 2wa6 s PHE 72 Cb 0.08 -1.71 0.40 0.00 -0.57 0.00 0.00 43.02 41.22 2wa6 s PHE 72 CO 0.64 0.54 1.73 -0.09 -0.10 0.00 0.00 175.22 177.94 2wa6 h ARG 73 N 3.95 0.42 -0.63 0.44 2.43 -2.00 -0.54 114.38 118.45 2wa6 h ARG 73 Ca -0.49 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.69 2wa6 h ARG 73 Cb 1.18 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 2wa6 h ARG 73 CO 0.63 0.28 0.42 1.96 -1.51 0.00 0.00 179.97 181.74 2wa6 h GLN 74 N 0.43 0.73 -0.49 0.20 4.20 -1.96 -0.67 115.11 117.54 2wa6 h GLN 74 Ca 0.38 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 2wa6 h GLN 74 Cb 0.54 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2wa6 h GLN 74 CO -0.38 0.48 -0.18 0.52 -0.67 0.00 0.00 178.83 178.60 2wa6 h MET 75 N 0.75 0.99 -0.30 1.46 2.86 -1.46 -2.32 114.93 116.91 2wa6 h MET 75 Ca 0.25 -0.40 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 2wa6 h MET 75 Cb 0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2wa6 h MET 75 CO -0.07 1.08 -0.06 1.96 1.06 0.00 0.00 176.91 180.88 2wa6 h GLN 76 N 0.86 0.58 -0.68 1.72 4.20 -0.95 -1.47 115.11 119.37 2wa6 h GLN 76 Ca 0.12 -0.22 0.06 0.00 0.06 0.00 0.00 58.65 58.68 2wa6 h GLN 76 Cb 0.76 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 2wa6 h GLN 76 CO 0.06 0.76 0.38 -0.07 -0.67 0.00 0.00 178.83 179.29 2wa6 h LEU 77 N 0.35 0.55 -0.66 1.46 3.38 -1.14 -1.86 115.31 117.39 2wa6 h LEU 77 Ca 0.08 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2wa6 h LEU 77 Cb 0.54 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2wa6 h LEU 77 CO 0.03 0.35 -0.20 -0.08 0.09 0.00 0.00 178.44 178.62 2wa6 h GLU 78 N 0.68 0.83 -0.32 1.13 4.57 -1.28 -0.54 114.58 119.64 2wa6 h GLU 78 Ca 0.31 -0.33 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2wa6 h GLU 78 Cb 0.22 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2wa6 h GLU 78 CO -0.20 0.96 0.13 -0.91 -1.18 0.00 0.00 179.01 177.81 2wa6 h ASN 79 N 0.72 0.45 -0.75 1.04 2.35 -1.02 -0.89 115.58 117.49 2wa6 h ASN 79 Ca 0.10 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 2wa6 h ASN 79 Cb 0.73 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 2wa6 h ASN 79 CO 0.06 0.50 0.24 0.58 -1.65 0.00 0.00 177.43 177.15 2wa6 h VAL 80 N 0.37 1.26 -0.75 2.81 2.07 -1.25 -2.22 116.25 118.54 2wa6 h VAL 80 Ca 0.11 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.74 2wa6 h VAL 80 Cb 0.19 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2wa6 h VAL 80 CO -0.01 0.36 0.49 0.28 0.02 0.00 0.00 177.57 178.71 2wa6 h SER 81 N 1.12 0.84 -0.63 0.57 0.02 -0.88 -0.50 113.55 114.08 2wa6 h SER 81 Ca 0.24 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 2wa6 h SER 81 Cb 0.30 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 2wa6 h SER 81 CO -0.01 0.59 0.35 0.58 -1.14 0.00 0.00 176.83 177.20 2wa6 h VAL 82 N 0.99 0.97 -0.41 2.27 2.07 -0.94 0.84 116.25 122.05 2wa6 h VAL 82 Ca 0.29 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2wa6 h VAL 82 Cb -0.07 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2wa6 h VAL 82 CO -0.08 0.12 0.10 0.00 0.02 0.00 0.00 177.57 177.73 2wa6 h ALA 83 N 1.33 0.53 -0.40 1.67 0.00 -0.95 -1.25 119.26 120.20 2wa6 h ALA 83 Ca 0.28 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2wa6 h ALA 83 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wa6 h ALA 83 CO -0.17 0.22 -0.24 -0.07 0.00 0.00 0.00 179.25 178.99 2wa6 h LEU 84 N 0.51 0.82 -0.55 0.00 3.38 -0.84 -2.50 115.31 116.14 2wa6 h LEU 84 Ca 0.13 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2wa6 h LEU 84 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2wa6 h LEU 84 CO 0.00 1.03 -0.07 -0.08 0.09 0.00 0.00 178.44 179.41 2wa6 h GLU 85 N 0.70 1.02 -0.50 1.13 4.22 -0.78 -2.22 114.58 118.14 2wa6 h GLU 85 Ca 0.09 -0.36 0.07 0.00 0.08 0.00 0.00 59.36 59.24 2wa6 h GLU 85 Cb 0.77 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 2wa6 h GLU 85 CO 0.06 1.05 0.17 0.35 -2.18 0.00 0.00 179.01 178.46 2wa6 h PHE 86 N 0.90 0.30 -0.66 0.92 3.57 -1.09 -1.55 116.94 119.33 2wa6 h PHE 86 Ca 0.15 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2wa6 h PHE 86 Cb 0.64 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2wa6 h PHE 86 CO 0.04 0.09 0.34 -0.07 -2.23 0.00 0.00 178.31 176.48 2wa6 h LEU 87 N 0.34 0.85 -0.74 0.59 3.38 -1.28 -1.23 115.31 117.23 2wa6 h LEU 87 Ca 0.24 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2wa6 h LEU 87 Cb 0.27 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2wa6 h LEU 87 CO -0.25 0.72 0.49 -0.78 0.09 0.00 0.00 178.44 178.71 2wa6 h ASP 88 N 0.91 0.84 -1.01 -0.43 3.58 -1.10 -0.95 116.42 118.26 2wa6 h ASP 88 Ca 0.23 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.67 2wa6 h ASP 88 Cb 0.09 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 40.88 2wa6 h ASP 88 CO -0.03 0.61 0.67 -0.09 -2.88 0.00 0.00 179.24 177.51 2wa6 h ARG 89 N 1.00 1.32 -0.00 0.28 9.65 -0.97 -1.03 114.38 124.62 2wa6 h ARG 89 Ca 0.27 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 2wa6 h ARG 89 Cb -0.11 -0.30 0.00 0.00 -1.39 0.00 0.00 29.97 28.17 2wa6 h ARG 89 CO -0.06 0.87 0.00 0.39 2.80 0.00 0.00 179.97 183.97 2wa6 n GLU 90 N -4.39 0.78 -2.37 0.20 -0.58 -0.49 -4.87 120.64 108.93 2wa6 n GLU 90 Ca 0.12 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.71 2wa6 n GLU 90 Cb 0.01 -1.00 -0.01 0.00 -0.57 0.00 0.00 31.44 29.87 2wa6 n GLU 90 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2wa6 n SER 91 N -0.50 -4.47 -4.65 1.62 7.64 -0.39 -4.96 113.62 107.91 2wa6 n SER 91 Ca 0.00 0.15 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 2wa6 n SER 91 Cb 0.00 -3.79 -0.04 0.00 -1.01 0.00 0.00 64.21 59.37 2wa6 n SER 91 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2wa6 s ILE 92 N -2.71 4.88 -0.28 0.44 1.01 -0.41 -5.02 121.20 119.11 2wa6 s ILE 92 Ca 0.00 1.51 -0.26 0.00 0.00 0.00 0.00 60.65 61.91 2wa6 s ILE 92 Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2wa6 s ILE 92 CO 0.00 -0.01 0.90 -0.54 0.00 0.00 0.00 174.94 175.29 2wa6 s LYS 93 N 2.46 4.08 0.05 2.79 3.01 -1.26 -4.23 119.74 126.64 2wa6 s LYS 93 Ca 0.35 0.90 0.02 0.00 -1.01 0.00 0.00 55.97 56.22 2wa6 s LYS 93 Cb -0.16 -3.70 -0.04 0.00 -1.01 0.00 0.00 37.83 32.93 2wa6 s LYS 93 CO 0.10 -0.68 0.08 -0.51 0.51 0.00 0.00 175.35 174.84 2wa6 s LEU 94 N 3.12 3.83 -0.01 3.17 1.43 -1.26 -5.01 118.68 123.95 2wa6 s LEU 94 Ca 0.38 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 2wa6 s LEU 94 Cb -0.14 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.66 2wa6 s LEU 94 CO 0.11 0.21 -0.20 0.54 0.23 0.00 0.00 176.35 177.24 2wa6 s VAL 95 N -1.31 1.58 -1.66 -1.59 0.11 -1.26 -4.85 120.40 111.42 2wa6 s VAL 95 Ca 0.27 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 2wa6 s VAL 95 Cb -0.12 -1.32 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 2wa6 s VAL 95 CO 0.19 0.43 0.00 -0.24 -3.33 0.00 0.00 175.10 172.15 2wa6 n SER 96 N 2.55 -4.69 -4.29 3.54 2.88 -1.26 -4.95 113.62 107.41 2wa6 n SER 96 Ca -0.15 0.28 -0.33 0.00 -1.33 0.00 0.00 58.87 57.34 2wa6 n SER 96 Cb 0.53 -4.10 -0.16 0.00 -0.75 0.00 0.00 64.21 59.73 2wa6 n SER 96 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2wa6 s ILE 97 N -2.60 2.56 0.35 2.46 1.10 -1.26 -5.01 121.20 118.79 2wa6 s ILE 97 Ca 0.00 -0.83 0.03 0.00 -0.51 0.00 0.00 60.65 59.34 2wa6 s ILE 97 Cb 0.00 -2.04 -0.05 0.00 0.15 0.00 0.00 42.46 40.52 2wa6 s ILE 97 CO 0.00 0.54 0.08 1.51 -2.11 0.00 0.00 174.94 174.96 2wa6 s ASP 98 N 0.44 2.43 0.19 4.50 -4.77 -1.26 -5.07 116.67 113.12 2wa6 s ASP 98 Ca -0.13 -1.48 -0.12 0.00 -3.30 0.00 0.00 52.55 47.52 2wa6 s ASP 98 Cb -0.17 0.13 0.11 0.00 -1.09 0.00 0.00 42.92 41.91 2wa6 s ASP 98 CO 0.06 -0.72 1.86 0.28 0.70 0.00 0.00 175.17 177.34 2wa6 h SER 99 N 2.02 0.75 0.30 2.11 0.02 -1.91 -2.48 113.55 114.37 2wa6 h SER 99 Ca -0.39 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 2wa6 h SER 99 Cb 1.26 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2wa6 h SER 99 CO 0.65 0.56 -0.21 0.07 -1.14 0.00 0.00 176.83 176.75 2wa6 h LYS 100 N 0.88 0.00 -0.80 3.45 2.10 -1.98 -1.36 116.57 118.87 2wa6 h LYS 100 Ca 0.24 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.94 2wa6 h LYS 100 Cb -0.09 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.19 2wa6 h LYS 100 CO -0.05 0.21 0.49 0.00 -2.00 0.00 0.00 179.45 178.11 2wa6 h ALA 101 N 1.79 1.08 0.01 0.07 0.00 -1.85 0.14 119.26 120.50 2wa6 h ALA 101 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2wa6 h ALA 101 Cb 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wa6 h ALA 101 CO 0.03 0.25 -0.16 0.82 0.00 0.00 0.00 179.25 180.19 2wa6 h ILE 102 N 0.92 1.63 -0.88 0.00 1.08 -1.44 -0.83 117.51 117.99 2wa6 h ILE 102 Ca 0.34 -2.06 0.05 0.00 -0.39 0.00 0.00 64.86 62.81 2wa6 h ILE 102 Cb 0.12 2.98 -0.05 0.00 -3.07 0.00 0.00 36.82 36.80 2wa6 h ILE 102 CO -0.15 0.55 0.57 0.58 -0.69 0.00 0.00 178.15 179.01 2wa6 h VAL 103 N -0.69 1.09 -0.36 1.67 2.07 -1.12 -2.72 116.25 116.19 2wa6 h VAL 103 Ca -0.02 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2wa6 h VAL 103 Cb 0.99 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2wa6 h VAL 103 CO 0.03 0.19 0.00 0.47 0.02 0.00 0.00 177.57 178.28 2wa6 n ASP 104 N -4.47 2.74 -0.76 0.57 8.00 0.48 -4.81 116.55 118.29 2wa6 n ASP 104 Ca 0.13 -1.91 -0.04 0.00 0.71 0.00 0.00 54.79 53.68 2wa6 n ASP 104 Cb 0.17 -0.24 0.01 0.00 -0.02 0.00 0.00 41.12 41.04 2wa6 n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wa6 n GLY 105 N 1.35 0.48 3.56 0.44 0.00 -1.02 -4.95 105.19 105.03 2wa6 n GLY 105 Ca 0.18 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2wa6 n GLY 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wa6 s ASN 106 N -2.96 5.52 0.21 1.61 3.84 -0.33 -4.84 114.94 118.00 2wa6 s ASN 106 Ca 0.06 -0.45 -0.09 0.00 0.21 0.00 0.00 52.86 52.58 2wa6 s ASN 106 Cb -0.03 -2.55 0.20 0.00 -0.55 0.00 0.00 41.25 38.32 2wa6 s ASN 106 CO 0.07 -2.33 1.87 0.25 -2.79 0.00 0.00 177.10 174.17 2wa6 h LEU 107 N 16.04 0.81 -0.33 3.21 5.85 -1.90 -0.44 115.31 138.56 2wa6 h LEU 107 Ca -0.05 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.74 2wa6 h LEU 107 Cb 1.06 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 2wa6 h LEU 107 CO 1.26 0.57 -0.17 0.50 -0.34 0.00 0.00 178.44 180.26 2wa6 h LYS 108 N 0.96 -0.11 0.01 1.25 3.64 -1.98 0.32 116.57 120.65 2wa6 h LYS 108 Ca 0.30 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.50 2wa6 h LYS 108 Cb -0.03 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2wa6 h LYS 108 CO -0.10 -0.08 -0.87 -0.07 -2.27 0.00 0.00 179.45 176.07 2wa6 h LEU 109 N -0.12 0.09 -0.04 5.20 3.38 -1.82 -2.41 115.31 119.60 2wa6 h LEU 109 Ca 0.17 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wa6 h LEU 109 Cb 0.38 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2wa6 h LEU 109 CO -0.41 0.91 0.02 0.40 0.09 0.00 0.00 178.44 179.46 2wa6 h ILE 110 N 0.03 1.05 -0.82 1.22 2.04 -0.84 -1.65 117.51 118.55 2wa6 h ILE 110 Ca -0.02 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 65.80 2wa6 h ILE 110 Cb 1.51 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.59 2wa6 h ILE 110 CO 0.12 0.04 0.46 -0.07 0.00 0.00 0.00 178.15 178.70 2wa6 h LEU 111 N 0.01 0.66 -0.66 1.44 3.38 -0.85 -1.23 115.31 118.06 2wa6 h LEU 111 Ca 0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2wa6 h LEU 111 Cb 0.04 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2wa6 h LEU 111 CO -0.00 0.38 0.42 1.23 0.09 0.00 0.00 178.44 180.55 2wa6 h GLY 112 N 0.78 0.94 0.88 0.83 0.00 -1.24 -0.42 103.07 104.83 2wa6 h GLY 112 Ca 0.39 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2wa6 h GLY 112 CO -0.25 0.29 0.07 -2.00 0.00 0.00 0.00 176.54 174.64 2wa6 h LEU 113 N 0.83 0.36 -0.71 3.11 5.85 -0.57 -2.01 115.31 122.16 2wa6 h LEU 113 Ca 0.26 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2wa6 h LEU 113 Cb -0.02 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2wa6 h LEU 113 CO -0.09 0.48 0.19 0.58 -0.34 0.00 0.00 178.44 179.26 2wa6 h VAL 114 N 0.22 1.26 -0.74 1.05 2.07 -0.95 -2.37 116.25 116.79 2wa6 h VAL 114 Ca 0.08 -0.95 0.07 0.00 0.82 0.00 0.00 66.70 66.72 2wa6 h VAL 114 Cb 0.25 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 2wa6 h VAL 114 CO -0.00 0.37 0.42 -0.25 0.02 0.00 0.00 177.57 178.13 2wa6 h TRP 115 N 1.06 0.77 -0.74 1.57 -0.00 -0.96 -0.71 115.95 116.95 2wa6 h TRP 115 Ca 0.22 0.03 0.08 0.00 -0.00 0.00 0.00 58.89 59.22 2wa6 h TRP 115 Cb 0.35 -0.24 -0.06 0.00 -0.00 0.00 0.00 29.16 29.21 2wa6 h TRP 115 CO 0.03 0.36 0.41 1.15 -0.00 0.00 0.00 178.44 180.38 2wa6 h THR 116 N 0.76 0.93 -0.34 2.65 2.02 -0.90 0.18 112.91 118.20 2wa6 h THR 116 Ca 0.34 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 2wa6 h THR 116 Cb 0.23 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2wa6 h THR 116 CO -0.20 0.13 0.02 -0.07 0.37 0.00 0.00 175.52 175.77 2wa6 h LEU 117 N 0.72 0.58 0.37 2.58 3.38 -0.90 -1.16 115.31 120.88 2wa6 h LEU 117 Ca 0.34 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2wa6 h LEU 117 Cb 0.28 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wa6 h LEU 117 CO -0.22 0.73 -0.18 0.40 0.09 0.00 0.00 178.44 179.26 2wa6 h ILE 118 N 0.41 0.64 -0.63 1.22 2.04 -0.64 0.16 117.51 120.70 2wa6 h ILE 118 Ca 0.10 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 65.93 2wa6 h ILE 118 Cb 0.43 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 2wa6 h ILE 118 CO 0.01 0.03 0.25 0.25 0.00 0.00 0.00 178.15 178.69 2wa6 h LEU 119 N -0.57 0.26 0.34 1.44 5.85 -0.68 0.13 115.31 122.07 2wa6 h LEU 119 Ca -0.05 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2wa6 h LEU 119 Cb 0.43 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2wa6 h LEU 119 CO 0.08 0.15 -0.16 -0.74 -0.34 0.00 0.00 178.44 177.43 2wa6 h HIS 120 N 0.44 -0.42 0.00 1.25 2.76 -1.08 0.57 115.15 118.67 2wa6 h HIS 120 Ca 0.32 -0.01 -0.25 0.00 -2.20 0.00 0.00 60.37 58.23 2wa6 h HIS 120 Cb 0.39 0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 2wa6 h HIS 120 CO -0.16 -0.11 -1.41 1.88 -1.30 0.00 0.00 177.93 176.83 2wa6 h TYR 121 N -1.00 0.00 0.01 5.26 0.05 -0.63 0.43 116.97 121.08 2wa6 h TYR 121 Ca -0.05 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.38 2wa6 h TYR 121 Cb 0.49 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.17 2wa6 h TYR 121 CO 0.03 0.99 -2.24 0.43 -1.05 0.00 0.00 178.16 176.32 2wa6 n SER 122 N -3.17 0.53 -0.08 3.88 7.64 0.41 -4.46 113.62 118.37 2wa6 n SER 122 Ca -0.10 0.08 -0.18 0.00 1.01 0.00 0.00 58.87 59.68 2wa6 n SER 122 Cb 1.00 0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 64.65 2wa6 n SER 122 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2wa6 n ILE 123 N -2.91 0.93 0.09 0.44 5.41 -0.96 -4.75 119.36 117.61 2wa6 n ILE 123 Ca -0.31 -0.24 -0.22 0.00 1.00 0.00 0.00 62.75 62.99 2wa6 n ILE 123 Cb 1.11 -1.72 -0.15 0.00 -0.71 0.00 0.00 39.64 38.17 2wa6 n ILE 123 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2wa6 h SER 124 N -0.60 0.61 0.25 4.38 0.87 0.17 -3.40 113.55 115.84 2wa6 h SER 124 Ca -0.43 -0.81 -0.33 0.00 -1.23 0.00 0.00 61.79 58.99 2wa6 h SER 124 Cb 1.38 -0.20 0.04 0.00 -0.44 0.00 0.00 62.40 63.17 2wa6 h SER 124 CO -0.26 1.67 -1.42 0.24 -0.53 0.00 0.00 176.83 176.53 2wa6 h MET 125 N 0.11 0.55 -6.95 2.24 2.86 -1.12 -3.46 114.93 109.17 2wa6 h MET 125 Ca -0.29 -0.89 -0.53 0.00 -2.06 0.00 0.00 59.70 55.93 2wa6 h MET 125 Cb 2.09 0.32 0.09 0.00 0.06 0.00 0.00 31.60 34.17 2wa6 h MET 125 CO 0.20 1.42 0.67 -2.14 1.06 0.00 0.00 176.91 178.12 2wa6 s PRO 126 N -2.70 3.98 -0.35 -0.22 0.02 -1.26 -4.97 135.00 129.51 2wa6 s PRO 126 Ca -0.09 2.32 -0.29 0.00 0.02 0.00 0.00 61.00 62.96 2wa6 s PRO 126 Cb 0.05 -2.82 0.02 0.00 0.02 0.00 0.00 34.50 31.76 2wa6 s PRO 126 CO 0.94 -0.54 1.13 0.08 -0.33 0.00 0.00 177.00 178.28 2wa6 s VAL 127 N -1.20 4.38 0.85 3.83 1.01 -1.26 -5.03 120.40 122.99 2wa6 s VAL 127 Ca 0.56 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.97 2wa6 s VAL 127 Cb -0.41 -4.41 0.12 0.00 0.00 0.00 0.00 36.38 31.68 2wa6 s VAL 127 CO 0.54 -0.58 1.22 0.26 0.00 0.00 0.00 175.10 176.54 2wa6 s TRP 128 N 3.94 2.48 0.03 5.22 0.23 -1.23 -4.88 118.94 124.74 2wa6 s TRP 128 Ca 0.48 0.58 -0.06 0.00 -2.03 0.00 0.00 56.10 55.06 2wa6 s TRP 128 Cb -0.12 -3.68 -0.01 0.00 0.03 0.00 0.00 33.47 29.68 2wa6 s TRP 128 CO 0.20 -2.05 0.67 0.39 0.96 0.00 0.00 176.95 177.13 2wa6 n GLU 129 N -3.44 -0.09 -1.72 4.98 4.71 -1.26 -0.91 120.64 122.91 2wa6 n GLU 129 Ca 0.10 0.67 -0.36 0.00 -0.01 0.00 0.00 57.16 57.56 2wa6 n GLU 129 Cb 0.60 -0.99 -0.03 0.00 -1.01 0.00 0.00 31.44 30.01 2wa6 n GLU 129 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2wa6 n ASP 130 N -3.34 7.78 0.00 1.62 8.00 -1.26 -5.21 116.55 124.14 2wa6 n ASP 130 Ca 0.00 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.50 2wa6 n ASP 130 Cb 0.05 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.77 2wa6 n ASP 130 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wa6 n GLU 131 N 1.99 0.00 -2.66 -1.24 1.02 -0.09 -5.21 120.64 114.45 2wa6 n GLU 131 Ca 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.73 2wa6 n GLU 131 Cb 0.33 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.80 2wa6 n GLU 131 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wa6 n LYS 137 N 0.00 0.08 0.00 3.49 4.01 -1.26 -3.49 118.16 120.99 2wa6 n LYS 137 Ca 0.00 -0.69 0.13 0.00 -0.51 0.00 0.00 58.31 57.24 2wa6 n LYS 137 Cb 0.00 0.11 0.49 0.00 -0.51 0.00 0.00 35.03 35.12 2wa6 n LYS 137 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2wa6 n LYS 138 N 2.25 0.73 -4.09 1.97 0.00 -1.26 -4.89 118.16 112.87 2wa6 n LYS 138 Ca 0.08 -0.35 -0.33 0.00 -0.00 0.00 0.00 58.31 57.71 2wa6 n LYS 138 Cb 0.67 -1.49 -0.07 0.00 -0.00 0.00 0.00 35.03 34.14 2wa6 n LYS 138 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2wa6 s GLN 139 N -2.51 3.06 0.96 -1.58 -2.07 -1.26 -5.10 119.66 111.16 2wa6 s GLN 139 Ca 0.26 -0.49 -0.11 0.00 -1.82 0.00 0.00 55.36 53.20 2wa6 s GLN 139 Cb 0.20 -2.86 0.17 0.00 -1.09 0.00 0.00 33.01 29.43 2wa6 s GLN 139 CO 0.50 0.64 1.11 0.95 -1.32 0.00 0.00 175.29 177.18 2wa6 s THR 140 N -1.21 2.22 0.30 3.63 -4.23 -1.26 -4.71 115.64 110.38 2wa6 s THR 140 Ca 0.23 0.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.86 2wa6 s THR 140 Cb -0.12 -2.18 0.29 0.00 1.34 0.00 0.00 72.50 71.83 2wa6 s THR 140 CO 0.14 -0.09 1.77 -0.65 -0.54 0.00 0.00 174.62 175.25 2wa6 h PRO 141 N -1.95 0.71 0.12 3.99 0.11 -1.96 -1.41 132.00 131.61 2wa6 h PRO 141 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2wa6 h PRO 141 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wa6 h PRO 141 CO 0.45 0.47 -0.06 -0.22 -0.21 0.00 0.00 178.00 178.44 2wa6 h LYS 142 N 0.73 -0.15 -0.92 1.05 3.64 -1.95 -0.72 116.57 118.24 2wa6 h LYS 142 Ca 0.56 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 60.01 2wa6 h LYS 142 Cb 0.87 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.66 2wa6 h LYS 142 CO -0.39 -0.06 0.59 1.96 -2.27 0.00 0.00 179.45 179.28 2wa6 h GLN 143 N -0.21 1.04 -0.49 1.90 4.20 -1.83 0.26 115.11 119.98 2wa6 h GLN 143 Ca -0.02 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 2wa6 h GLN 143 Cb 0.17 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2wa6 h GLN 143 CO 0.03 0.69 -0.12 0.00 -0.67 0.00 0.00 178.83 178.76 2wa6 h ARG 144 N 1.08 0.92 -0.08 1.46 3.08 -1.06 -0.60 114.38 119.18 2wa6 h ARG 144 Ca 0.40 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2wa6 h ARG 144 Cb 0.15 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2wa6 h ARG 144 CO -0.17 0.98 -0.05 1.25 -1.07 0.00 0.00 179.97 180.92 2wa6 h LEU 145 N 0.82 0.18 -0.42 3.04 5.85 -0.60 -1.86 115.31 122.32 2wa6 h LEU 145 Ca 0.13 -0.43 0.09 0.00 0.84 0.00 0.00 57.88 58.51 2wa6 h LEU 145 Cb 0.65 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 2wa6 h LEU 145 CO 0.05 0.57 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.43 2wa6 h LEU 146 N -0.21 -0.75 -0.92 2.25 3.38 -0.87 -1.49 115.31 116.70 2wa6 h LEU 146 Ca 0.02 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2wa6 h LEU 146 Cb 0.51 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2wa6 h LEU 146 CO 0.01 -0.25 0.46 1.23 0.09 0.00 0.00 178.44 179.99 2wa6 h GLY 147 N -0.14 1.32 0.94 0.83 0.00 -1.06 0.16 103.07 105.11 2wa6 h GLY 147 Ca 0.20 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2wa6 h GLY 147 CO -0.51 0.59 0.14 -0.09 0.00 0.00 0.00 176.54 176.67 2wa6 h ARG 148 N 1.23 0.43 -0.23 4.80 2.43 -1.01 -1.21 114.38 120.83 2wa6 h ARG 148 Ca 0.31 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 2wa6 h ARG 148 Cb 0.05 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2wa6 h ARG 148 CO -0.05 0.41 -0.21 0.82 -1.51 0.00 0.00 179.97 179.44 2wa6 h ILE 149 N 0.35 1.32 -0.83 1.20 1.08 -1.05 -3.07 117.51 116.51 2wa6 h ILE 149 Ca 0.10 -1.36 0.16 0.00 -0.39 0.00 0.00 64.86 63.37 2wa6 h ILE 149 Cb 0.12 1.68 -0.10 0.00 -3.07 0.00 0.00 36.82 35.45 2wa6 h ILE 149 CO -0.01 0.42 0.39 -0.61 -0.69 0.00 0.00 178.15 177.64 2wa6 h GLN 150 N 0.25 0.50 -0.03 2.37 5.75 -0.59 -1.79 115.11 121.58 2wa6 h GLN 150 Ca 0.04 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 2wa6 h GLN 150 Cb 0.76 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 2wa6 h GLN 150 CO 0.05 0.33 -0.35 -0.91 -2.65 0.00 0.00 178.83 175.31 2wa6 h ASN 151 N 0.52 0.05 0.39 -0.69 2.35 -1.15 -2.68 115.58 114.38 2wa6 h ASN 151 Ca 0.47 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 56.06 2wa6 h ASN 151 Cb 0.74 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2wa6 h ASN 151 CO -0.41 0.40 -0.62 0.11 -1.65 0.00 0.00 177.43 175.25 2wa6 h LYS 152 N 0.05 0.22 -2.44 0.81 1.57 -1.25 -3.35 116.57 112.17 2wa6 h LYS 152 Ca 0.00 -0.15 -0.60 0.00 -1.87 0.00 0.00 60.65 58.03 2wa6 h LYS 152 Cb 0.64 0.02 -0.41 0.00 0.08 0.00 0.00 32.23 32.56 2wa6 h LYS 152 CO 0.05 0.77 -0.68 0.44 -0.57 0.00 0.00 179.45 179.46 2wa6 n ILE 153 N -3.85 1.51 0.31 1.86 -5.35 -0.90 -4.82 119.36 108.11 2wa6 n ILE 153 Ca -0.02 -4.84 0.14 0.00 -0.27 0.00 0.00 62.75 57.76 2wa6 n ILE 153 Cb 0.63 -2.07 0.61 0.00 -1.74 0.00 0.00 39.64 37.06 2wa6 n ILE 153 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2wa6 h PRO 154 N 4.60 0.00 -0.03 6.28 0.13 -1.64 -2.71 132.00 138.64 2wa6 h PRO 154 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2wa6 h PRO 154 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2wa6 h PRO 154 CO 0.72 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.15 2wa6 n TYR 155 N -2.46 0.02 -5.29 1.56 4.01 -1.26 -4.83 117.16 108.91 2wa6 n TYR 155 Ca 0.01 -0.01 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 2wa6 n TYR 155 Cb 0.18 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.05 2wa6 n TYR 155 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wa6 s LEU 156 N -1.97 2.07 -0.46 7.72 1.43 -1.02 -5.09 118.68 121.36 2wa6 s LEU 156 Ca 0.35 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 52.69 2wa6 s LEU 156 Cb 0.21 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 45.07 2wa6 s LEU 156 CO 0.32 0.29 1.50 -2.16 0.23 0.00 0.00 176.35 176.54 2wa6 s PRO 157 N -0.45 3.39 -0.46 1.29 0.04 -1.26 -4.97 135.00 132.58 2wa6 s PRO 157 Ca 0.05 0.84 -0.10 0.00 0.04 0.00 0.00 61.00 61.83 2wa6 s PRO 157 Cb -0.11 -4.11 0.11 0.00 0.04 0.00 0.00 34.50 30.43 2wa6 s PRO 157 CO 0.01 -1.81 0.34 0.42 0.04 0.00 0.00 177.00 176.00 2wa6 s ILE 158 N 6.11 4.35 0.00 0.56 -1.09 -1.26 -4.86 121.20 125.01 2wa6 s ILE 158 Ca 0.62 -1.63 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 2wa6 s ILE 158 Cb -0.14 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 2wa6 s ILE 158 CO 0.30 -0.71 0.14 0.35 -1.23 0.00 0.00 174.94 173.79 2wa6 n THR 159 N 4.96 0.00 -4.06 2.92 -2.24 -1.26 -4.83 114.28 109.76 2wa6 n THR 159 Ca -0.09 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 2wa6 n THR 159 Cb 0.41 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 2wa6 n THR 159 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wa6 s ASN 160 N -0.45 0.43 -0.30 3.42 2.20 -1.26 -5.05 114.94 113.93 2wa6 s ASN 160 Ca 0.00 -1.26 0.07 0.00 -0.94 0.00 0.00 52.86 50.73 2wa6 s ASN 160 Cb 0.00 0.60 0.45 0.00 -2.00 0.00 0.00 41.25 40.31 2wa6 s ASN 160 CO 0.00 -1.19 1.27 0.49 -2.94 0.00 0.00 177.10 174.73 2wa6 n PHE 161 N -0.46 2.11 0.00 1.54 3.72 -1.26 -4.70 117.46 118.40 2wa6 n PHE 161 Ca -0.00 -2.08 0.00 0.00 -0.05 0.00 0.00 57.45 55.32 2wa6 n PHE 161 Cb 0.62 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2wa6 n PHE 161 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2wa6 n ASN 162 N -0.83 0.00 -0.05 4.37 0.23 -1.26 -4.26 115.26 113.46 2wa6 n ASN 162 Ca 0.39 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.47 2wa6 n ASN 162 Cb 0.90 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.97 2wa6 n ASN 162 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2wa6 h GLN 163 N 0.00 0.64 -0.03 -3.83 -0.00 -1.95 -1.47 115.11 108.47 2wa6 h GLN 163 Ca 0.00 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2wa6 h GLN 163 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 27.34 2wa6 h GLN 163 CO 0.00 0.44 0.10 -0.91 0.00 0.00 0.00 178.83 178.46 2wa6 h ASN 164 N 0.66 0.00 -0.02 -0.69 -0.26 -1.94 -2.77 115.58 110.56 2wa6 h ASN 164 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2wa6 h ASN 164 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 2wa6 h ASN 164 CO -0.04 0.00 -0.08 0.79 -1.06 0.00 0.00 177.43 177.05 2wa6 n TRP 165 N -3.26 0.00 0.08 1.19 7.02 -0.55 -4.57 117.44 117.35 2wa6 n TRP 165 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.43 2wa6 n TRP 165 Cb 0.18 0.00 0.20 0.00 -2.42 0.00 0.00 31.31 29.26 2wa6 n TRP 165 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 2wa6 h GLN 166 N 3.15 0.27 -0.01 -0.99 4.15 -1.53 -2.88 115.11 117.27 2wa6 h GLN 166 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2wa6 h GLN 166 Cb 0.71 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.40 2wa6 h GLN 166 CO 0.00 0.66 -0.11 -0.40 -1.93 0.00 0.00 178.83 177.05 2wa6 n ASP 167 N -4.00 1.53 0.00 -0.69 5.68 -1.26 -4.76 116.55 113.04 2wa6 n ASP 167 Ca -0.02 -1.35 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 2wa6 n ASP 167 Cb 0.50 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 2wa6 n ASP 167 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wa6 n GLY 168 N 1.26 1.93 0.09 6.12 0.00 -1.09 -4.26 105.19 109.23 2wa6 n GLY 168 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2wa6 n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wa6 h LYS 169 N 2.70 0.10 -0.09 1.61 1.57 -1.91 -3.20 116.57 117.36 2wa6 h LYS 169 Ca 0.00 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 2wa6 h LYS 169 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2wa6 h LYS 169 CO 0.00 0.90 -0.13 0.00 -0.57 0.00 0.00 179.45 179.65 2wa6 h ALA 170 N 0.80 1.62 -0.39 3.86 0.00 -1.90 -1.27 119.26 121.98 2wa6 h ALA 170 Ca -0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2wa6 h ALA 170 Cb 1.94 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2wa6 h ALA 170 CO 0.13 0.28 0.21 -0.07 0.00 0.00 0.00 179.25 179.79 2wa6 h LEU 171 N 0.13 0.50 -0.62 0.00 3.38 -1.89 -0.12 115.31 116.68 2wa6 h LEU 171 Ca 0.03 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2wa6 h LEU 171 Cb 0.31 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2wa6 h LEU 171 CO 0.02 0.45 0.39 1.23 0.09 0.00 0.00 178.44 180.62 2wa6 h GLY 172 N 0.50 0.88 0.92 0.83 0.00 -1.46 -0.35 103.07 104.40 2wa6 h GLY 172 Ca 0.14 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.18 2wa6 h GLY 172 CO -0.02 0.26 0.11 0.00 0.00 0.00 0.00 176.54 176.89 2wa6 h ALA 173 N 1.26 0.25 -0.23 3.60 0.00 -0.96 -1.80 119.26 121.38 2wa6 h ALA 173 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wa6 h ALA 173 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wa6 h ALA 173 CO -0.09 -0.30 0.09 1.25 0.00 0.00 0.00 179.25 180.19 2wa6 h LEU 174 N 0.23 0.32 -0.19 0.00 5.85 -0.77 -0.52 115.31 120.23 2wa6 h LEU 174 Ca 0.08 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2wa6 h LEU 174 Cb 0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2wa6 h LEU 174 CO -0.05 0.41 0.09 0.58 -0.34 0.00 0.00 178.44 179.12 2wa6 h VAL 175 N 0.21 1.14 -0.65 1.05 2.07 -1.02 -2.35 116.25 116.69 2wa6 h VAL 175 Ca 0.08 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2wa6 h VAL 175 Cb 0.19 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2wa6 h VAL 175 CO -0.01 0.13 0.25 -0.78 0.02 0.00 0.00 177.57 177.18 2wa6 h ASP 176 N 0.17 0.88 -0.89 0.57 3.58 -1.33 -2.21 116.42 117.20 2wa6 h ASP 176 Ca 0.07 -0.13 0.11 0.00 0.42 0.00 0.00 57.03 57.50 2wa6 h ASP 176 Cb 0.13 -0.23 -0.08 0.00 1.72 0.00 0.00 39.33 40.87 2wa6 h ASP 176 CO -0.01 0.80 0.52 -1.28 -2.88 0.00 0.00 179.24 176.39 2wa6 h SER 177 N 0.94 0.73 0.26 2.28 0.87 -0.86 0.16 113.55 117.93 2wa6 h SER 177 Ca 0.22 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.70 2wa6 h SER 177 Cb 0.20 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2wa6 h SER 177 CO -0.02 0.39 -0.51 0.00 -0.53 0.00 0.00 176.83 176.16 2wa6 s ALA 179 N -3.96 -0.92 0.08 0.00 0.00 -1.03 -5.13 121.76 110.81 2wa6 s ALA 179 Ca -0.05 -0.81 -0.36 0.00 0.00 0.00 0.00 51.96 50.75 2wa6 s ALA 179 Cb 0.12 -2.27 -0.16 0.00 0.00 0.00 0.00 23.12 20.82 2wa6 s ALA 179 CO 0.79 -2.16 1.46 -2.30 0.00 0.00 0.00 175.76 173.55 2wa6 n PRO 180 N 3.88 1.51 0.00 0.00 -0.02 0.54 -1.80 135.00 139.11 2wa6 n PRO 180 Ca 0.15 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2wa6 n PRO 180 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2wa6 n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wa6 n GLY 181 N 2.97 1.74 0.16 -1.23 0.00 -1.26 -4.98 105.19 102.59 2wa6 n GLY 181 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 2wa6 n GLY 181 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wa6 h LEU 182 N 0.00 0.57 -5.64 0.99 3.38 -1.65 -3.39 115.31 109.56 2wa6 h LEU 182 Ca 0.00 -0.62 -0.48 0.00 0.09 0.00 0.00 57.88 56.86 2wa6 h LEU 182 Cb 0.00 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 40.18 2wa6 h LEU 182 CO 0.00 1.10 -1.09 0.00 0.09 0.00 0.00 178.44 178.54 2wa6 h PRO 184 N 2.98 0.17 -0.69 0.00 0.13 -1.92 -2.22 132.00 130.46 2wa6 h PRO 184 Ca 0.08 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 2wa6 h PRO 184 Cb 0.93 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2wa6 h PRO 184 CO 0.57 0.26 0.07 -0.40 -0.23 0.00 0.00 178.00 178.26 2wa6 n ASP 185 N -4.36 4.89 -0.33 1.44 5.75 -1.26 -4.66 116.55 118.03 2wa6 n ASP 185 Ca -0.01 -2.87 0.15 0.00 -0.01 0.00 0.00 54.79 52.05 2wa6 n ASP 185 Cb 0.21 -0.68 0.38 0.00 -1.03 0.00 0.00 41.12 40.00 2wa6 n ASP 185 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2wa6 h TRP 186 N 3.11 0.93 0.00 2.11 5.08 -1.74 0.10 115.95 125.55 2wa6 h TRP 186 Ca 0.07 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.04 2wa6 h TRP 186 Cb 1.87 -0.28 -0.00 0.00 -3.00 0.00 0.00 29.16 27.75 2wa6 h TRP 186 CO 0.99 0.20 -0.13 1.49 -1.28 0.00 0.00 178.44 179.71 2wa6 h GLU 187 N 0.66 0.00 -0.00 0.12 4.81 -1.87 -2.05 114.58 116.25 2wa6 h GLU 187 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 2wa6 h GLU 187 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2wa6 h GLU 187 CO -0.34 0.13 -0.24 0.43 -0.73 0.00 0.00 179.01 178.27 2wa6 n SER 188 N -3.41 0.58 -4.76 1.04 7.64 0.02 -4.93 113.62 109.80 2wa6 n SER 188 Ca -0.01 -0.46 -0.39 0.00 1.01 0.00 0.00 58.87 59.02 2wa6 n SER 188 Cb 0.32 0.02 0.02 0.00 -1.01 0.00 0.00 64.21 63.55 2wa6 n SER 188 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2wa6 s TRP 189 N -2.67 2.53 -0.23 1.43 0.51 -0.77 -4.93 118.94 114.80 2wa6 s TRP 189 Ca 0.21 1.33 -0.29 0.00 -2.12 0.00 0.00 56.10 55.24 2wa6 s TRP 189 Cb 0.19 -3.81 -0.02 0.00 -0.81 0.00 0.00 33.47 29.02 2wa6 s TRP 189 CO 0.55 -2.66 1.54 0.34 -0.51 0.00 0.00 176.95 176.21 2wa6 s ASP 190 N -0.69 6.48 0.29 2.95 2.15 -1.26 -4.89 116.67 121.69 2wa6 s ASP 190 Ca 0.62 1.56 0.23 0.00 0.43 0.00 0.00 52.55 55.39 2wa6 s ASP 190 Cb -0.41 -2.53 1.07 0.00 -0.30 0.00 0.00 42.92 40.75 2wa6 s ASP 190 CO 0.52 -1.19 1.70 -0.81 -0.17 0.00 0.00 175.17 175.22 2wa6 n PRO 191 N 7.52 0.18 0.00 4.34 -0.04 -1.26 -1.43 135.00 144.30 2wa6 n PRO 191 Ca 0.18 0.52 0.15 0.00 -0.04 0.00 0.00 63.50 64.30 2wa6 n PRO 191 Cb 0.45 -1.92 0.73 0.00 -0.04 0.00 0.00 33.50 32.73 2wa6 n PRO 191 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wa6 n GLN 192 N -2.26 0.67 -3.00 0.54 3.00 -1.26 -4.10 117.38 110.96 2wa6 n GLN 192 Ca 0.01 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.00 56.55 2wa6 n GLN 192 Cb 0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.86 2wa6 n GLN 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2wa6 n LYS 193 N -1.06 3.74 -0.07 -1.09 4.76 -0.52 -4.93 118.16 118.99 2wa6 n LYS 193 Ca 0.16 -4.73 -0.11 0.00 -2.87 0.00 0.00 58.31 50.76 2wa6 n LYS 193 Cb 0.23 -2.34 0.03 0.00 -1.84 0.00 0.00 35.03 31.12 2wa6 n LYS 193 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2wa6 h PRO 194 N 3.91 0.78 -0.39 1.97 0.13 -1.74 -1.65 132.00 135.00 2wa6 h PRO 194 Ca 0.25 -0.41 -0.06 0.00 -0.87 0.00 0.00 66.00 64.91 2wa6 h PRO 194 Cb 0.52 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 2wa6 h PRO 194 CO 0.98 1.03 -0.00 0.28 -0.23 0.00 0.00 178.00 180.06 2wa6 h VAL 195 N 0.64 1.26 -0.36 1.56 2.07 -1.88 -0.58 116.25 118.95 2wa6 h VAL 195 Ca 0.05 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 66.63 2wa6 h VAL 195 Cb 0.95 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 2wa6 h VAL 195 CO 0.09 0.34 0.02 0.44 0.02 0.00 0.00 177.57 178.48 2wa6 h ASP 196 N 0.51 -0.10 0.17 0.57 3.32 -1.94 0.24 116.42 119.19 2wa6 h ASP 196 Ca 0.11 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2wa6 h ASP 196 Cb 0.48 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2wa6 h ASP 196 CO 0.02 -0.01 -0.08 0.78 -1.72 0.00 0.00 179.24 178.22 2wa6 h ASN 197 N 0.13 -0.19 -0.53 6.45 2.35 -1.11 -2.05 115.58 120.62 2wa6 h ASN 197 Ca 0.18 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2wa6 h ASN 197 Cb 0.24 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2wa6 h ASN 197 CO -0.28 -0.02 0.35 0.00 -1.65 0.00 0.00 177.43 175.83 2wa6 h ALA 198 N 0.45 0.68 -0.12 -0.83 0.00 -0.94 -1.57 119.26 116.93 2wa6 h ALA 198 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wa6 h ALA 198 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2wa6 h ALA 198 CO 0.04 0.10 -0.02 -0.09 0.00 0.00 0.00 179.25 179.28 2wa6 h ARG 199 N 0.70 0.01 0.49 0.00 2.43 -0.45 0.68 114.38 118.25 2wa6 h ARG 199 Ca 0.20 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2wa6 h ARG 199 Cb -0.06 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2wa6 h ARG 199 CO -0.05 0.01 -0.30 1.49 -1.51 0.00 0.00 179.97 179.60 2wa6 h GLU 200 N 0.01 -0.73 -0.13 0.20 4.57 -1.20 0.44 114.58 117.74 2wa6 h GLU 200 Ca 0.06 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.33 2wa6 h GLU 200 Cb 0.08 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.78 2wa6 h GLU 200 CO -0.11 -0.48 -0.26 0.00 -1.18 0.00 0.00 179.01 176.97 2wa6 h ALA 201 N -0.29 -0.25 -0.08 2.92 0.00 -1.21 -1.50 119.26 118.85 2wa6 h ALA 201 Ca -0.06 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2wa6 h ALA 201 Cb 0.62 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2wa6 h ALA 201 CO 0.06 -0.72 -0.45 0.52 0.00 0.00 0.00 179.25 178.65 2wa6 h MET 202 N -0.33 0.18 -0.35 0.00 2.86 -0.79 -1.64 114.93 114.85 2wa6 h MET 202 Ca 0.10 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 2wa6 h MET 202 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2wa6 h MET 202 CO -0.32 0.59 -0.32 0.37 1.06 0.00 0.00 176.91 178.29 2wa6 h GLN 203 N 0.15 0.84 -0.59 1.72 5.75 -0.77 -1.75 115.11 120.44 2wa6 h GLN 203 Ca 0.01 -0.43 0.07 0.00 -0.15 0.00 0.00 58.65 58.15 2wa6 h GLN 203 Cb 0.85 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.35 2wa6 h GLN 203 CO 0.07 1.07 0.27 1.96 -2.65 0.00 0.00 178.83 179.54 2wa6 h GLN 204 N 0.62 0.48 -0.53 1.69 1.08 -0.93 0.86 115.11 118.38 2wa6 h GLN 204 Ca 0.06 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.14 2wa6 h GLN 204 Cb 0.90 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 2wa6 h GLN 204 CO 0.08 0.32 -0.01 0.00 -0.95 0.00 0.00 178.83 178.27 2wa6 h ALA 205 N 1.36 0.98 0.37 3.87 0.00 -1.27 -0.38 119.26 124.19 2wa6 h ALA 205 Ca 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wa6 h ALA 205 Cb 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wa6 h ALA 205 CO -0.24 0.62 -0.18 0.22 0.00 0.00 0.00 179.25 179.67 2wa6 h ASP 206 N 0.84 -0.42 0.14 0.00 1.82 -0.98 -0.05 116.42 117.76 2wa6 h ASP 206 Ca 0.15 -0.11 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 2wa6 h ASP 206 Cb 0.51 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 2wa6 h ASP 206 CO 0.03 -0.12 -0.27 0.44 -1.61 0.00 0.00 179.24 177.71 2wa6 h ASP 207 N -0.74 0.22 0.00 2.28 3.32 -0.74 -3.25 116.42 117.52 2wa6 h ASP 207 Ca -0.05 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2wa6 h ASP 207 Cb 0.51 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2wa6 h ASP 207 CO 0.08 0.49 -0.72 0.79 -1.72 0.00 0.00 179.24 178.17 2wa6 n TRP 208 N -4.15 0.00 0.44 4.55 5.03 -0.16 -4.74 117.44 118.40 2wa6 n TRP 208 Ca -0.01 0.00 0.05 0.00 3.03 0.00 0.00 57.50 60.57 2wa6 n TRP 208 Cb 0.37 0.00 0.04 0.00 -1.03 0.00 0.00 31.31 30.69 2wa6 n TRP 208 CO 0.00 0.00 0.00 1.28 -0.03 0.00 0.00 177.69 178.94 2wa6 n LEU 209 N -1.12 1.84 -1.25 -0.99 4.77 -0.13 -5.00 117.00 115.12 2wa6 n LEU 209 Ca 0.00 -0.99 -0.13 0.00 -0.03 0.00 0.00 56.01 54.86 2wa6 n LEU 209 Cb 0.03 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2wa6 n LEU 209 CO 0.00 0.35 -0.15 0.61 -1.33 0.00 0.00 177.39 176.88 2wa6 n GLY 210 N 0.60 0.62 3.48 -0.72 0.00 -0.61 -4.75 105.19 103.82 2wa6 n GLY 210 Ca 0.06 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 2wa6 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wa6 s VAL 211 N -2.57 4.97 0.47 1.61 1.01 -0.67 -4.97 120.40 120.26 2wa6 s VAL 211 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 2wa6 s VAL 211 Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 2wa6 s VAL 211 CO 0.00 -0.56 1.14 -2.16 0.00 0.00 0.00 175.10 173.53 2wa6 s PRO 212 N 2.42 3.73 -1.43 2.72 0.04 -1.26 -3.29 135.00 137.92 2wa6 s PRO 212 Ca 0.15 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 2wa6 s PRO 212 Cb -0.17 -2.34 0.06 0.00 0.04 0.00 0.00 34.50 32.09 2wa6 s PRO 212 CO 0.15 -0.56 2.27 1.04 0.04 0.00 0.00 177.00 179.94 2wa6 n GLN 213 N -0.60 3.32 0.24 4.56 6.02 -1.26 -4.70 117.38 124.96 2wa6 n GLN 213 Ca 0.08 -2.83 0.10 0.00 -0.01 0.00 0.00 57.00 54.34 2wa6 n GLN 213 Cb 0.49 -3.07 0.57 0.00 1.02 0.00 0.00 30.24 29.26 2wa6 n GLN 213 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2wa6 h VAL 214 N 3.66 0.64 -3.44 5.09 -1.51 -1.92 -3.39 116.25 115.38 2wa6 h VAL 214 Ca 0.59 -0.88 -0.66 0.00 -1.23 0.00 0.00 66.70 64.52 2wa6 h VAL 214 Cb 0.55 1.57 -0.14 0.00 -2.13 0.00 0.00 31.29 31.14 2wa6 h VAL 214 CO 1.78 0.19 -0.69 -0.51 -1.23 0.00 0.00 177.57 177.11 2wa6 s ILE 215 N -3.95 3.77 0.36 7.19 2.07 -1.26 -4.11 121.20 125.27 2wa6 s ILE 215 Ca -0.01 -1.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.17 2wa6 s ILE 215 Cb 0.12 -2.77 -0.03 0.00 0.13 0.00 0.00 42.46 39.91 2wa6 s ILE 215 CO 0.62 0.14 0.57 0.42 -1.91 0.00 0.00 174.94 174.78 2wa6 s THR 216 N -1.25 4.93 0.30 4.00 -4.23 -1.26 -4.93 115.64 113.20 2wa6 s THR 216 Ca 0.23 -0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2wa6 s THR 216 Cb -0.11 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 70.22 2wa6 s THR 216 CO 0.16 -0.53 1.85 -0.65 -0.54 0.00 0.00 174.62 174.90 2wa6 h PRO 217 N 0.69 0.88 -0.61 3.99 0.11 -1.93 -0.60 132.00 134.54 2wa6 h PRO 217 Ca -0.49 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 2wa6 h PRO 217 Cb 1.22 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2wa6 h PRO 217 CO 0.61 0.58 0.08 0.93 -0.21 0.00 0.00 178.00 179.99 2wa6 h GLU 218 N 0.91 1.03 -0.17 1.05 3.07 -1.95 -3.12 114.58 115.40 2wa6 h GLU 218 Ca 0.48 -0.29 -0.04 0.00 -0.50 0.00 0.00 59.36 59.01 2wa6 h GLU 218 Cb 0.55 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2wa6 h GLU 218 CO -0.25 0.97 -0.05 0.93 -1.40 0.00 0.00 179.01 179.22 2wa6 h GLU 219 N 0.94 0.34 -0.09 2.33 5.08 -1.81 -3.06 114.58 118.30 2wa6 h GLU 219 Ca 0.18 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2wa6 h GLU 219 Cb 0.46 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2wa6 h GLU 219 CO 0.02 0.62 -0.26 0.97 -1.00 0.00 0.00 179.01 179.35 2wa6 h ILE 220 N 0.05 1.23 -0.01 3.13 2.10 -1.12 -2.50 117.51 120.38 2wa6 h ILE 220 Ca 0.04 -1.06 0.00 0.00 1.08 0.00 0.00 64.86 64.92 2wa6 h ILE 220 Cb 0.49 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.67 2wa6 h ILE 220 CO 0.02 0.32 -0.28 2.30 -1.08 0.00 0.00 178.15 179.43 2wa6 n ILE 221 N -4.18 0.00 -1.75 2.19 -6.64 -1.18 -4.71 119.36 103.09 2wa6 n ILE 221 Ca -0.01 -0.19 -0.42 0.00 -1.77 0.00 0.00 62.75 60.36 2wa6 n ILE 221 Cb 0.35 0.69 -0.02 0.00 -1.44 0.00 0.00 39.64 39.22 2wa6 n ILE 221 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 2wa6 s HIS 222 N -2.42 2.77 0.62 4.28 2.46 -0.94 -4.85 115.29 117.22 2wa6 s HIS 222 Ca 0.24 0.64 0.32 0.00 0.47 0.00 0.00 55.06 56.74 2wa6 s HIS 222 Cb 0.19 -4.11 1.83 0.00 -0.13 0.00 0.00 32.58 30.37 2wa6 s HIS 222 CO 0.50 -3.86 2.14 -1.00 -2.47 0.00 0.00 174.74 170.05 2wa6 h PRO 223 N 5.37 0.00 -0.51 2.88 0.13 -1.92 -1.41 132.00 136.54 2wa6 h PRO 223 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2wa6 h PRO 223 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2wa6 h PRO 223 CO 0.84 0.00 0.03 -0.25 -0.23 0.00 0.00 178.00 178.39 2wa6 n ASP 224 N -3.50 5.15 -4.77 1.44 8.00 -1.26 -4.99 116.55 116.62 2wa6 n ASP 224 Ca -0.00 -3.01 -0.40 0.00 0.71 0.00 0.00 54.79 52.09 2wa6 n ASP 224 Cb 0.27 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 2wa6 n ASP 224 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wa6 s VAL 225 N -2.83 2.32 0.26 2.53 0.11 -0.53 -3.44 120.40 118.82 2wa6 s VAL 225 Ca 0.52 0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 59.79 2wa6 s VAL 225 Cb 0.40 -3.18 -0.06 0.00 -1.53 0.00 0.00 36.38 32.02 2wa6 s VAL 225 CO 0.14 0.05 0.54 1.51 -3.33 0.00 0.00 175.10 174.01 2wa6 s ASP 226 N -0.54 6.52 0.23 3.54 -4.77 -1.26 -4.92 116.67 115.46 2wa6 s ASP 226 Ca 0.57 0.80 -0.04 0.00 -3.30 0.00 0.00 52.55 50.59 2wa6 s ASP 226 Cb -0.42 -2.18 0.22 0.00 -1.09 0.00 0.00 42.92 39.46 2wa6 s ASP 226 CO 0.54 -0.13 1.67 -0.33 0.70 0.00 0.00 175.17 177.62 2wa6 h GLU 227 N 2.12 0.79 -0.62 2.11 5.08 -1.95 -3.11 114.58 118.99 2wa6 h GLU 227 Ca -0.47 -0.28 0.08 0.00 -1.00 0.00 0.00 59.36 57.69 2wa6 h GLU 227 Cb 1.18 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 2wa6 h GLU 227 CO 0.68 0.89 0.28 0.45 -1.00 0.00 0.00 179.01 180.32 2wa6 h HIS 228 N 0.71 0.51 -0.31 4.33 3.86 -1.95 0.16 115.15 122.45 2wa6 h HIS 228 Ca 0.11 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2wa6 h HIS 228 Cb 0.65 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 2wa6 h HIS 228 CO 0.03 0.18 0.16 0.77 0.86 0.00 0.00 177.93 179.94 2wa6 h SER 229 N 0.51 0.24 -0.59 2.45 0.02 -1.92 -0.38 113.55 113.88 2wa6 h SER 229 Ca 0.30 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 2wa6 h SER 229 Cb 0.31 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2wa6 h SER 229 CO -0.25 0.18 0.12 0.58 -1.14 0.00 0.00 176.83 176.31 2wa6 h VAL 230 N 0.33 1.25 -0.64 2.27 2.07 -1.40 -2.67 116.25 117.47 2wa6 h VAL 230 Ca 0.13 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2wa6 h VAL 230 Cb 0.04 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2wa6 h VAL 230 CO -0.09 0.35 0.31 0.24 0.02 0.00 0.00 177.57 178.41 2wa6 h MET 231 N 0.86 0.92 -0.26 1.57 2.86 -0.55 -0.54 114.93 119.80 2wa6 h MET 231 Ca 0.18 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 2wa6 h MET 231 Cb 0.39 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 2wa6 h MET 231 CO 0.01 0.73 -0.04 1.15 1.06 0.00 0.00 176.91 179.81 2wa6 h THR 232 N 0.88 0.77 -0.07 2.22 2.02 -0.94 0.43 112.91 118.22 2wa6 h THR 232 Ca 0.22 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 2wa6 h THR 232 Cb 0.11 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2wa6 h THR 232 CO -0.03 0.00 0.02 0.22 0.37 0.00 0.00 175.52 176.11 2wa6 h TYR 233 N 0.03 0.11 0.00 3.16 3.20 -1.21 -3.25 116.97 119.01 2wa6 h TYR 233 Ca 0.12 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 2wa6 h TYR 233 Cb 0.18 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2wa6 h TYR 233 CO -0.24 0.25 -0.59 -0.07 -1.64 0.00 0.00 178.16 175.88 2wa6 h LEU 234 N -0.07 0.00 -2.56 2.82 3.38 -0.89 -2.74 115.31 115.26 2wa6 h LEU 234 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2wa6 h LEU 234 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2wa6 h LEU 234 CO -0.00 0.59 0.14 0.77 0.09 0.00 0.00 178.44 180.02 2wa6 h SER 235 N 0.00 0.00 1.00 -0.43 4.64 -0.94 -2.17 113.55 115.65 2wa6 h SER 235 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2wa6 h SER 235 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2wa6 h SER 235 CO 0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 176.03 2wa6 n GLN 236 N -3.12 0.00 -2.01 4.77 6.02 -1.03 -4.91 117.38 117.09 2wa6 n GLN 236 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.58 2wa6 n GLN 236 Cb 0.20 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2wa6 n GLN 236 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2wa6 s PHE 237 N -3.00 2.71 0.74 1.08 0.40 -0.82 -4.84 117.98 114.25 2wa6 s PHE 237 Ca 0.14 1.40 -0.13 0.00 -0.60 0.00 0.00 56.93 57.74 2wa6 s PHE 237 Cb 0.19 -3.68 0.04 0.00 0.51 0.00 0.00 43.02 40.08 2wa6 s PHE 237 CO 0.53 -2.22 1.13 -1.25 0.70 0.00 0.00 175.22 174.11 2wa6 s PRO 238 N -2.42 2.30 0.00 0.24 0.04 -1.26 -5.15 135.00 128.75 2wa6 s PRO 238 Ca 0.60 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2wa6 s PRO 238 Cb -0.38 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2wa6 s PRO 238 CO 0.48 -1.65 0.00 1.17 0.04 0.00 0.00 177.00 177.04