#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wtn s ALA 0 N 0.00 1.44 -0.04 4.61 0.00 -1.26 -1.92 121.76 124.59 2wtn s ALA 0 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 2wtn s ALA 0 Cb 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 23.12 23.17 2wtn s ALA 0 CO 0.00 0.07 0.93 0.00 0.00 0.00 0.00 175.76 176.76 2wtn s MET 1 N -2.75 0.75 -0.11 0.00 0.00 -0.84 -5.00 119.30 111.36 2wtn s MET 1 Ca 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 55.69 55.53 2wtn s MET 1 Cb -0.04 0.35 -0.02 0.00 0.00 0.00 0.00 34.83 35.11 2wtn s MET 1 CO 0.02 -0.32 -0.09 0.71 0.00 0.00 0.00 175.02 175.34 2wtn s TYR 2 N -2.89 2.88 -0.20 3.16 2.02 -1.26 -0.38 117.35 120.68 2wtn s TYR 2 Ca 0.05 -0.30 -0.08 0.00 -0.37 0.00 0.00 57.07 56.37 2wtn s TYR 2 Cb -0.01 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 2wtn s TYR 2 CO -0.08 0.04 0.08 0.42 -1.57 0.00 0.00 175.55 174.44 2wtn s ILE 3 N -0.13 4.78 0.16 2.71 1.01 0.93 -4.88 121.20 125.76 2wtn s ILE 3 Ca 0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 2wtn s ILE 3 Cb -0.13 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 2wtn s ILE 3 CO 0.03 0.42 1.12 -0.62 0.00 0.00 0.00 174.94 175.88 2wtn s ASP 4 N 0.72 7.23 -0.38 3.58 2.15 -1.26 -0.51 116.67 128.21 2wtn s ASP 4 Ca 0.04 2.08 0.00 0.00 0.43 0.00 0.00 52.55 55.10 2wtn s ASP 4 Cb -0.13 -2.60 0.13 0.00 -0.30 0.00 0.00 42.92 40.02 2wtn s ASP 4 CO 0.02 -0.27 0.20 0.00 -0.17 0.00 0.00 175.17 174.95 2wtn n ASP 6 N 4.06 -4.50 0.00 0.00 8.00 -1.26 -1.32 116.55 121.53 2wtn n ASP 6 Ca 0.07 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2wtn n ASP 6 Cb 0.37 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.77 2wtn n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wtn n GLY 7 N -1.21 0.52 3.61 0.44 0.00 -1.26 -5.02 105.19 102.26 2wtn n GLY 7 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2wtn n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wtn s ILE 8 N -2.19 5.15 -0.01 -0.61 -1.09 -0.43 -5.02 121.20 116.99 2wtn s ILE 8 Ca 0.00 0.65 -0.26 0.00 -2.23 0.00 0.00 60.65 58.81 2wtn s ILE 8 Cb 0.00 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2wtn s ILE 8 CO 0.00 0.14 0.82 -0.54 -1.23 0.00 0.00 174.94 174.12 2wtn s LYS 9 N 2.14 4.50 -0.28 2.79 3.01 -1.26 -0.47 119.74 130.16 2wtn s LYS 9 Ca 0.17 1.12 -0.08 0.00 -1.01 0.00 0.00 55.97 56.16 2wtn s LYS 9 Cb -0.16 -3.43 -0.02 0.00 -1.01 0.00 0.00 37.83 33.22 2wtn s LYS 9 CO 0.10 0.08 0.11 -0.51 0.51 0.00 0.00 175.35 175.64 2wtn s LEU 10 N 0.64 3.81 0.16 3.17 1.43 0.34 -1.37 118.68 126.87 2wtn s LEU 10 Ca 0.43 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 2wtn s LEU 10 Cb -0.20 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 2wtn s LEU 10 CO 0.23 -0.12 1.21 0.21 0.23 0.00 0.00 176.35 178.11 2wtn s ASN 11 N 1.61 7.06 0.14 2.29 3.84 -1.26 -0.05 114.94 128.57 2wtn s ASN 11 Ca 0.05 2.21 -0.04 0.00 0.21 0.00 0.00 52.86 55.30 2wtn s ASN 11 Cb -0.16 -2.60 -0.03 0.00 -0.55 0.00 0.00 41.25 37.91 2wtn s ASN 11 CO 0.05 -0.41 0.13 0.00 -2.79 0.00 0.00 177.10 174.08 2wtn s ALA 12 N 0.20 0.56 -0.10 1.71 0.00 0.49 -0.58 121.76 124.04 2wtn s ALA 12 Ca 0.55 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2wtn s ALA 12 Cb -0.33 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.66 2wtn s ALA 12 CO 0.35 -0.54 -0.09 0.71 0.00 0.00 0.00 175.76 176.20 2wtn s TYR 13 N -4.02 1.44 -0.30 0.00 2.02 -0.09 -1.99 117.35 114.42 2wtn s TYR 13 Ca 0.21 -0.65 -0.08 0.00 -0.37 0.00 0.00 57.07 56.17 2wtn s TYR 13 Cb 0.06 -1.16 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 2wtn s TYR 13 CO 0.01 -0.43 0.11 -1.17 -1.57 0.00 0.00 175.55 172.50 2wtn s LEU 14 N 1.35 3.91 -0.12 -1.29 2.96 -0.81 -0.43 118.68 124.25 2wtn s LEU 14 Ca -0.02 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2wtn s LEU 14 Cb -0.14 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 2wtn s LEU 14 CO -0.04 -0.17 -0.18 -1.81 -1.32 0.00 0.00 176.35 172.83 2wtn s ASP 15 N 1.57 3.56 0.38 3.68 1.01 -0.40 -0.85 116.67 125.62 2wtn s ASP 15 Ca 0.04 -0.45 -0.05 0.00 0.71 0.00 0.00 52.55 52.80 2wtn s ASP 15 Cb -0.17 -1.52 -0.05 0.00 1.01 0.00 0.00 42.92 42.20 2wtn s ASP 15 CO 0.04 0.15 0.66 -0.04 0.21 0.00 0.00 175.17 176.20 2wtn s MET 16 N 0.42 3.61 0.10 8.23 -1.94 -1.26 -0.81 119.30 127.65 2wtn s MET 16 Ca -0.13 0.10 0.17 0.00 -1.71 0.00 0.00 55.69 54.11 2wtn s MET 16 Cb -0.17 -2.52 0.71 0.00 2.01 0.00 0.00 34.83 34.87 2wtn s MET 16 CO 0.06 0.03 1.51 -2.30 -0.01 0.00 0.00 175.02 174.32 2wtn n PRO 17 N -1.53 0.07 -4.03 2.03 -0.02 -1.18 -4.90 135.00 125.44 2wtn n PRO 17 Ca -0.01 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 2wtn n PRO 17 Cb 0.55 -1.64 0.02 0.00 -0.02 0.00 0.00 33.50 32.40 2wtn n PRO 17 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2wtn n LYS 18 N -1.78 -0.48 0.00 -0.52 0.00 -1.26 -4.69 118.16 109.43 2wtn n LYS 18 Ca 0.02 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 2wtn n LYS 18 Cb 0.17 -2.39 0.00 0.00 -0.00 0.00 0.00 35.03 32.81 2wtn n LYS 18 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2wtn n ASN 19 N -2.24 0.00 0.00 -5.58 0.23 -1.26 -5.04 115.26 101.37 2wtn n ASN 19 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 2wtn n ASN 19 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 2wtn n ASN 19 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2wtn n ASN 20 N 0.00 0.00 -2.81 0.53 5.15 -1.26 -5.11 115.26 111.76 2wtn n ASN 20 Ca 0.00 0.43 -0.11 0.00 -0.60 0.00 0.00 54.58 54.30 2wtn n ASN 20 Cb 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.32 2wtn n ASN 20 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2wtn n PRO 21 N -0.73 -0.32 0.26 1.20 -0.02 -1.26 -3.10 135.00 131.03 2wtn n PRO 21 Ca 0.00 -0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 60.45 2wtn n PRO 21 Cb 0.00 -0.48 -0.08 0.00 -0.02 0.00 0.00 33.50 32.92 2wtn n PRO 21 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wtn h GLU 22 N 0.00 -0.59 -4.85 -0.52 4.81 -1.99 -3.44 114.58 108.00 2wtn h GLU 22 Ca -0.16 0.04 -0.48 0.00 -0.13 0.00 0.00 59.36 58.62 2wtn h GLU 22 Cb 0.47 0.13 -0.31 0.00 0.63 0.00 0.00 28.75 29.67 2wtn h GLU 22 CO 0.12 -0.38 -0.81 0.15 -0.73 0.00 0.00 179.01 177.37 2wtn s LYS 23 N -6.00 1.32 0.23 1.92 1.02 -1.26 -4.52 119.74 112.44 2wtn s LYS 23 Ca -0.16 -0.42 -0.21 0.00 0.02 0.00 0.00 55.97 55.20 2wtn s LYS 23 Cb 0.04 -1.18 0.04 0.00 -0.52 0.00 0.00 37.83 36.21 2wtn s LYS 23 CO 0.63 0.15 0.65 0.00 -0.92 0.00 0.00 175.35 175.86 2wtn s PRO 25 N -3.86 3.03 -0.05 0.00 0.02 -1.26 -0.55 135.00 132.32 2wtn s PRO 25 Ca 0.08 0.80 0.03 0.00 0.02 0.00 0.00 61.00 61.92 2wtn s PRO 25 Cb -0.03 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.48 2wtn s PRO 25 CO -0.01 -0.99 -0.13 -1.17 -0.33 0.00 0.00 177.00 174.37 2wtn s LEU 26 N -5.44 1.74 -0.17 -5.54 2.96 -0.40 -0.26 118.68 111.58 2wtn s LEU 26 Ca 0.57 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2wtn s LEU 26 Cb -0.13 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 2wtn s LEU 26 CO 0.54 0.07 -0.03 0.00 -1.32 0.00 0.00 176.35 175.62 2wtn s ILE 28 N 0.62 4.80 -0.11 0.00 1.01 -0.53 -0.61 121.20 126.37 2wtn s ILE 28 Ca -0.02 1.29 -0.00 0.00 0.00 0.00 0.00 60.65 61.91 2wtn s ILE 28 Cb -0.14 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.41 2wtn s ILE 28 CO 0.02 0.47 -0.08 -0.63 0.00 0.00 0.00 174.94 174.73 2wtn s ILE 29 N -0.60 1.01 -0.18 2.92 1.01 -0.63 0.28 121.20 125.01 2wtn s ILE 29 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 2wtn s ILE 29 Cb -0.19 -1.03 -0.00 0.00 0.01 0.00 0.00 42.46 41.25 2wtn s ILE 29 CO 0.19 0.36 -0.12 -0.63 0.00 0.00 0.00 174.94 174.74 2wtn s ILE 30 N 1.64 2.83 1.09 2.92 -1.09 -0.72 -2.23 121.20 125.65 2wtn s ILE 30 Ca 0.04 -0.70 -0.17 0.00 -2.23 0.00 0.00 60.65 57.59 2wtn s ILE 30 Cb -0.13 -2.23 0.24 0.00 -1.58 0.00 0.00 42.46 38.76 2wtn s ILE 30 CO -0.07 0.49 1.17 -1.38 -1.23 0.00 0.00 174.94 173.91 2wtn s HIS 31 N 1.10 1.17 0.07 3.97 -3.43 -1.26 -0.99 115.29 115.91 2wtn s HIS 31 Ca 0.00 0.53 0.01 0.00 -0.80 0.00 0.00 55.06 54.80 2wtn s HIS 31 Cb -0.14 -3.61 0.01 0.00 -1.43 0.00 0.00 32.58 27.41 2wtn s HIS 31 CO -0.03 -3.28 0.08 0.41 -2.00 0.00 0.00 174.74 169.92 2wtn n GLY 32 N -1.88 2.25 3.68 -1.38 0.00 -1.13 -2.61 105.19 104.12 2wtn n GLY 32 Ca 0.12 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2wtn n GLY 32 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wtn s PHE 33 N 0.30 2.47 0.00 1.61 5.36 -1.26 -0.69 117.98 125.78 2wtn s PHE 33 Ca 0.06 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 2wtn s PHE 33 Cb -0.01 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 2wtn s PHE 33 CO 0.04 -3.39 0.00 0.25 -1.46 0.00 0.00 175.22 170.66 2wtn n THR 34 N 4.86 0.00 -2.07 0.12 -2.24 -1.26 -5.02 114.28 108.68 2wtn n THR 34 Ca 0.15 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2wtn n THR 34 Cb 0.42 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 2wtn n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtn n GLY 35 N -0.54 0.50 3.66 3.38 0.00 0.14 -4.93 105.19 107.40 2wtn n GLY 35 Ca 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 46.02 44.06 2wtn n GLY 35 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wtn s HIS 36 N 0.07 -0.18 -0.60 1.61 -3.43 -1.26 -4.01 115.29 107.49 2wtn s HIS 36 Ca 0.00 -0.04 0.22 0.00 -0.80 0.00 0.00 55.06 54.44 2wtn s HIS 36 Cb -0.00 0.59 0.91 0.00 -1.43 0.00 0.00 32.58 32.65 2wtn s HIS 36 CO 0.00 -0.64 1.68 0.43 -2.00 0.00 0.00 174.74 174.20 2wtn n SER 37 N -0.39 0.55 -1.17 7.38 7.64 -1.26 -2.92 113.62 123.45 2wtn n SER 37 Ca -0.07 0.63 0.09 0.00 1.01 0.00 0.00 58.87 60.53 2wtn n SER 37 Cb 0.61 -0.75 0.27 0.00 -1.01 0.00 0.00 64.21 63.34 2wtn n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wtn n GLU 38 N -2.10 2.57 -2.33 1.43 1.02 -1.26 -4.20 120.64 115.78 2wtn n GLU 38 Ca 0.03 -2.22 -0.35 0.00 -0.02 0.00 0.00 57.16 54.59 2wtn n GLU 38 Cb 0.23 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 2wtn n GLU 38 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wtn s GLU 39 N -1.30 3.55 0.21 3.49 2.02 -1.15 -4.80 118.70 120.72 2wtn s GLU 39 Ca 0.41 1.59 -0.15 0.00 0.02 0.00 0.00 54.97 56.83 2wtn s GLU 39 Cb 0.22 -2.12 0.22 0.00 0.10 0.00 0.00 34.13 32.56 2wtn s GLU 39 CO 0.26 -0.68 1.60 -0.09 0.02 0.00 0.00 175.26 176.37 2wtn h ARG 40 N 1.48 -0.06 -0.36 1.61 2.43 -1.92 0.07 114.38 117.63 2wtn h ARG 40 Ca -0.50 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.57 2wtn h ARG 40 Cb 1.25 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2wtn h ARG 40 CO 0.58 -0.04 -0.21 1.12 -1.51 0.00 0.00 179.97 179.91 2wtn h HIS 41 N -0.06 0.80 0.15 2.20 2.07 -1.92 0.89 115.15 119.28 2wtn h HIS 41 Ca 0.30 -0.17 -0.01 0.00 -2.85 0.00 0.00 60.37 57.64 2wtn h HIS 41 Cb 0.53 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 30.32 2wtn h HIS 41 CO -0.60 0.86 -0.07 0.82 -3.07 0.00 0.00 177.93 175.88 2wtn h ILE 42 N 0.62 1.01 -0.44 6.12 1.08 -1.70 -2.34 117.51 121.85 2wtn h ILE 42 Ca 0.09 -0.93 0.09 0.00 -0.39 0.00 0.00 64.86 63.72 2wtn h ILE 42 Cb 0.70 1.55 -0.08 0.00 -3.07 0.00 0.00 36.82 35.93 2wtn h ILE 42 CO 0.05 0.21 -0.03 0.58 -0.69 0.00 0.00 178.15 178.27 2wtn h VAL 43 N -0.66 0.62 -0.36 1.67 2.07 -0.99 0.11 116.25 118.71 2wtn h VAL 43 Ca -0.02 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2wtn h VAL 43 Cb 0.49 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2wtn h VAL 43 CO 0.03 0.01 0.18 0.00 0.02 0.00 0.00 177.57 177.82 2wtn h ALA 44 N 1.41 0.44 -0.62 1.67 0.00 -0.74 0.13 119.26 121.55 2wtn h ALA 44 Ca 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2wtn h ALA 44 Cb 0.33 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2wtn h ALA 44 CO -0.40 -0.19 0.25 0.28 0.00 0.00 0.00 179.25 179.20 2wtn h VAL 45 N 0.37 1.23 -0.33 0.00 2.07 -1.19 -2.13 116.25 116.27 2wtn h VAL 45 Ca 0.15 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 67.01 2wtn h VAL 45 Cb 0.06 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2wtn h VAL 45 CO -0.10 0.28 0.04 -0.61 0.02 0.00 0.00 177.57 177.20 2wtn h GLN 46 N 0.86 0.14 -0.56 1.57 -0.00 0.17 -2.31 115.11 114.97 2wtn h GLN 46 Ca 0.21 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.78 2wtn h GLN 46 Cb 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.62 2wtn h GLN 46 CO -0.02 0.09 0.11 0.93 0.00 0.00 0.00 178.83 179.94 2wtn h GLU 47 N 0.15 0.92 -0.89 1.69 5.08 -0.52 -1.87 114.58 119.13 2wtn h GLU 47 Ca 0.16 -0.24 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2wtn h GLU 47 Cb 0.19 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 2wtn h GLU 47 CO -0.23 0.88 0.55 1.15 -1.00 0.00 0.00 179.01 180.35 2wtn h THR 48 N 0.82 1.00 -0.25 1.13 2.02 -1.26 0.00 112.91 116.38 2wtn h THR 48 Ca 0.17 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 2wtn h THR 48 Cb 0.39 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2wtn h THR 48 CO 0.01 0.18 -0.15 -0.07 0.37 0.00 0.00 175.52 175.86 2wtn h LEU 49 N 0.97 0.56 -1.08 2.58 3.38 -1.09 -2.85 115.31 117.79 2wtn h LEU 49 Ca 0.41 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2wtn h LEU 49 Cb 0.25 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2wtn h LEU 49 CO -0.20 0.86 0.62 0.78 0.09 0.00 0.00 178.44 180.59 2wtn h ASN 50 N 0.26 0.97 0.26 -0.43 -0.26 -0.77 -1.26 115.58 114.35 2wtn h ASN 50 Ca 0.05 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.75 2wtn h ASN 50 Cb 0.67 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.72 2wtn h ASN 50 CO 0.04 0.61 -0.25 -0.33 -1.06 0.00 0.00 177.43 176.44 2wtn h GLU 51 N 1.09 0.00 -0.50 0.81 5.08 -0.88 -2.65 114.58 117.53 2wtn h GLU 51 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2wtn h GLU 51 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2wtn h GLU 51 CO -0.17 0.25 0.00 0.44 -1.00 0.00 0.00 179.01 178.54 2wtn n ILE 52 N -4.21 2.63 -0.10 3.13 -5.35 -0.55 -4.94 119.36 109.96 2wtn n ILE 52 Ca -0.02 -1.52 0.00 0.00 -0.27 0.00 0.00 62.75 60.93 2wtn n ILE 52 Cb 0.31 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 2wtn n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wtn n GLY 53 N 0.35 0.95 3.30 3.28 0.00 -1.00 -5.02 105.19 107.05 2wtn n GLY 53 Ca 0.26 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 2wtn n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wtn s VAL 54 N -2.00 3.42 0.63 1.61 1.01 -0.73 -4.27 120.40 120.08 2wtn s VAL 54 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 2wtn s VAL 54 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2wtn s VAL 54 CO 0.00 0.35 1.15 0.00 0.00 0.00 0.00 175.10 176.60 2wtn n ALA 55 N 4.79 0.72 -2.55 5.51 0.00 0.64 -3.28 120.51 126.35 2wtn n ALA 55 Ca -0.17 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 2wtn n ALA 55 Cb 0.50 -2.23 -0.16 0.00 0.00 0.00 0.00 19.45 17.56 2wtn n ALA 55 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wtn s THR 56 N -1.45 1.80 -0.38 0.00 -4.23 0.01 0.33 115.64 111.73 2wtn s THR 56 Ca 0.80 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 60.39 2wtn s THR 56 Cb -0.39 -1.51 0.11 0.00 1.34 0.00 0.00 72.50 72.05 2wtn s THR 56 CO 0.43 0.51 0.12 -0.22 -0.54 0.00 0.00 174.62 174.91 2wtn s LEU 57 N -0.35 3.99 -0.04 4.79 2.96 0.22 -1.28 118.68 128.97 2wtn s LEU 57 Ca 0.04 -2.26 -0.25 0.00 -0.22 0.00 0.00 54.13 51.44 2wtn s LEU 57 Cb -0.10 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 2wtn s LEU 57 CO 0.01 -0.35 0.75 -0.13 -1.32 0.00 0.00 176.35 175.31 2wtn s ARG 58 N 0.77 4.46 -0.06 1.98 0.52 0.43 -1.60 118.95 125.45 2wtn s ARG 58 Ca 0.13 0.98 0.03 0.00 -0.52 0.00 0.00 55.73 56.35 2wtn s ARG 58 Cb -0.20 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 31.84 2wtn s ARG 58 CO -0.09 0.09 -0.15 0.00 0.02 0.00 0.00 175.30 175.17 2wtn s ALA 59 N 0.69 1.40 -0.09 2.13 0.00 -0.95 -0.92 121.76 124.03 2wtn s ALA 59 Ca 0.40 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 2wtn s ALA 59 Cb -0.19 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2wtn s ALA 59 CO 0.20 0.18 1.11 -0.51 0.00 0.00 0.00 175.76 176.75 2wtn s ASP 60 N 0.40 7.14 0.70 0.00 1.01 0.26 -4.42 116.67 121.75 2wtn s ASP 60 Ca -0.11 1.67 -0.09 0.00 0.71 0.00 0.00 52.55 54.73 2wtn s ASP 60 Cb -0.14 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.27 2wtn s ASP 60 CO 0.04 -0.53 1.05 -0.04 0.21 0.00 0.00 175.17 175.89 2wtn s MET 61 N 2.21 2.51 0.15 8.23 -1.94 -1.26 -4.17 119.30 125.03 2wtn s MET 61 Ca 0.52 0.09 -0.34 0.00 -1.71 0.00 0.00 55.69 54.25 2wtn s MET 61 Cb -0.21 -2.11 -0.16 0.00 2.01 0.00 0.00 34.83 34.36 2wtn s MET 61 CO 0.19 -1.13 1.10 0.98 -0.01 0.00 0.00 175.02 176.16 2wtn n TYR 62 N -2.95 1.07 -1.23 -0.03 9.36 -1.26 -1.05 117.16 121.07 2wtn n TYR 62 Ca 0.07 0.75 -0.08 0.00 3.32 0.00 0.00 57.90 61.96 2wtn n TYR 62 Cb 0.59 -2.23 -0.03 0.00 -0.63 0.00 0.00 39.34 37.04 2wtn n TYR 62 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wtn n GLY 63 N 1.98 0.90 3.13 2.98 0.00 -0.26 -4.82 105.19 109.10 2wtn n GLY 63 Ca 0.16 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 2wtn n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wtn s HIS 64 N -2.02 1.03 0.00 1.61 3.76 -0.21 -3.72 115.29 115.74 2wtn s HIS 64 Ca 0.00 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2wtn s HIS 64 Cb 0.00 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 33.10 2wtn s HIS 64 CO 0.00 0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 2wtn n GLY 65 N 1.37 4.09 0.79 -2.22 0.00 -1.26 -1.59 105.19 106.37 2wtn n GLY 65 Ca -0.22 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.01 2wtn n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wtn n LYS 66 N 14.00 2.90 -2.04 1.61 5.02 -1.26 -4.97 118.16 133.41 2wtn n LYS 66 Ca 0.00 -2.23 -0.29 0.00 -2.02 0.00 0.00 58.31 53.77 2wtn n LYS 66 Cb 0.00 -1.38 0.04 0.00 -0.02 0.00 0.00 35.03 33.67 2wtn n LYS 66 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2wtn s SER 67 N -1.07 5.62 0.94 4.39 0.01 -0.62 -4.50 113.70 118.46 2wtn s SER 67 Ca 0.29 1.06 -0.12 0.00 1.31 0.00 0.00 55.95 58.49 2wtn s SER 67 Cb 0.16 -1.96 0.15 0.00 0.21 0.00 0.00 66.02 64.59 2wtn s SER 67 CO 0.18 -1.18 1.09 -1.81 0.41 0.00 0.00 173.24 171.93 2wtn s ASP 68 N -4.31 3.06 0.00 2.44 1.01 -0.47 -4.51 116.67 113.89 2wtn s ASP 68 Ca 0.56 1.54 0.00 0.00 0.71 0.00 0.00 52.55 55.36 2wtn s ASP 68 Cb -0.11 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.62 2wtn s ASP 68 CO 0.50 -2.90 0.00 0.61 0.21 0.00 0.00 175.17 173.59 2wtn n GLY 69 N -0.76 0.10 3.82 0.21 0.00 -1.26 -1.10 105.19 106.19 2wtn n GLY 69 Ca 0.07 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 2wtn n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wtn s LYS 70 N -3.09 4.18 0.28 1.61 1.02 -1.26 -3.52 119.74 118.95 2wtn s LYS 70 Ca 0.00 0.74 0.01 0.00 0.02 0.00 0.00 55.97 56.74 2wtn s LYS 70 Cb 0.00 -3.03 0.61 0.00 -0.52 0.00 0.00 37.83 34.90 2wtn s LYS 70 CO 0.00 0.50 1.75 0.35 -0.92 0.00 0.00 175.35 177.03 2wtn h PHE 71 N 3.84 0.78 0.00 3.18 3.57 -1.90 -1.80 116.94 124.61 2wtn h PHE 71 Ca -0.48 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2wtn h PHE 71 Cb 1.20 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2wtn h PHE 71 CO 0.65 0.13 0.00 1.05 -2.23 0.00 0.00 178.31 177.91 2wtn h GLU 72 N 0.59 0.00 -0.01 1.11 4.11 -1.91 -2.65 114.58 115.82 2wtn h GLU 72 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 2wtn h GLU 72 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2wtn h GLU 72 CO -0.41 0.00 -0.33 -0.25 0.07 0.00 0.00 179.01 178.09 2wtn n ASP 73 N -2.95 1.36 -4.78 3.06 8.00 -0.68 -1.26 116.55 119.30 2wtn n ASP 73 Ca 0.01 -1.10 -0.36 0.00 0.71 0.00 0.00 54.79 54.04 2wtn n ASP 73 Cb 0.30 0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.61 2wtn n ASP 73 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2wtn s HIS 74 N -2.49 3.23 0.19 1.24 -3.43 -1.00 -4.98 115.29 108.05 2wtn s HIS 74 Ca 0.23 1.63 -0.01 0.00 -0.80 0.00 0.00 55.06 56.11 2wtn s HIS 74 Cb 0.19 -3.14 -0.04 0.00 -1.43 0.00 0.00 32.58 28.16 2wtn s HIS 74 CO 0.54 -0.69 0.12 0.95 -2.00 0.00 0.00 174.74 173.66 2wtn s THR 75 N -1.67 0.03 0.38 -5.38 -4.23 -1.26 -4.44 115.64 99.06 2wtn s THR 75 Ca 0.58 -1.99 0.11 0.00 -1.18 0.00 0.00 61.69 59.22 2wtn s THR 75 Cb -0.22 -2.45 0.12 0.00 1.34 0.00 0.00 72.50 71.29 2wtn s THR 75 CO 0.28 -0.06 1.86 -0.07 -0.54 0.00 0.00 174.62 176.09 2wtn h LEU 76 N 2.64 0.10 -0.74 4.79 3.38 -1.94 -0.60 115.31 122.94 2wtn h LEU 76 Ca -0.36 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 2wtn h LEU 76 Cb 1.24 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2wtn h LEU 76 CO 0.54 0.38 -0.09 -0.26 0.09 0.00 0.00 178.44 179.10 2wtn h PHE 77 N 0.09 0.96 -0.13 1.13 0.04 -1.97 -0.26 116.94 116.81 2wtn h PHE 77 Ca 0.01 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 2wtn h PHE 77 Cb 0.55 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 2wtn h PHE 77 CO 0.00 0.91 0.05 0.87 -0.60 0.00 0.00 178.31 179.54 2wtn h LYS 78 N 0.79 0.20 -0.74 1.51 1.57 -1.83 -0.49 116.57 117.59 2wtn h LYS 78 Ca 0.13 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2wtn h LYS 78 Cb 0.60 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 2wtn h LYS 78 CO 0.04 0.32 0.47 -1.49 -0.57 0.00 0.00 179.45 178.22 2wtn h TRP 79 N 0.05 0.89 -0.54 -1.35 4.06 -0.99 0.61 115.95 118.67 2wtn h TRP 79 Ca 0.04 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.90 2wtn h TRP 79 Cb 0.19 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.04 2wtn h TRP 79 CO -0.01 0.52 -0.11 -0.07 -3.56 0.00 0.00 178.44 175.21 2wtn h LEU 80 N 0.93 1.03 -0.46 -4.49 3.38 -0.92 0.24 115.31 115.01 2wtn h LEU 80 Ca 0.29 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2wtn h LEU 80 Cb -0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 2wtn h LEU 80 CO -0.10 1.14 0.29 0.74 0.09 0.00 0.00 178.44 180.61 2wtn h THR 81 N 0.90 1.13 -0.47 0.22 2.02 -0.66 -0.95 112.91 115.10 2wtn h THR 81 Ca 0.14 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 67.12 2wtn h THR 81 Cb 0.68 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 2wtn h THR 81 CO 0.05 0.13 0.12 0.78 0.37 0.00 0.00 175.52 176.97 2wtn h ASN 82 N 0.62 0.07 -0.91 4.18 -0.26 -0.43 -2.16 115.58 116.69 2wtn h ASN 82 Ca 0.17 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.97 2wtn h ASN 82 Cb -0.04 0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.26 2wtn h ASN 82 CO -0.03 0.07 0.53 0.40 -1.06 0.00 0.00 177.43 177.33 2wtn h ILE 83 N 0.27 1.26 -0.40 2.81 2.04 -0.19 -1.27 117.51 122.02 2wtn h ILE 83 Ca 0.23 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 65.38 2wtn h ILE 83 Cb 0.28 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2wtn h ILE 83 CO -0.28 0.28 -0.25 -0.07 0.00 0.00 0.00 178.15 177.83 2wtn h LEU 84 N 1.27 0.84 -1.04 1.44 3.38 -0.97 0.11 115.31 120.33 2wtn h LEU 84 Ca 0.33 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wtn h LEU 84 Cb -0.02 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 2wtn h LEU 84 CO -0.06 1.04 0.64 0.00 0.09 0.00 0.00 178.44 180.16 2wtn h ALA 85 N 1.02 1.36 -0.41 1.53 0.00 -0.93 0.21 119.26 122.03 2wtn h ALA 85 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wtn h ALA 85 Cb 0.78 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2wtn h ALA 85 CO 0.06 0.55 0.21 0.28 0.00 0.00 0.00 179.25 180.36 2wtn h VAL 86 N 1.25 1.16 -0.88 0.00 2.07 -0.73 -1.34 116.25 117.78 2wtn h VAL 86 Ca 0.39 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2wtn h VAL 86 Cb -0.01 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2wtn h VAL 86 CO -0.12 0.17 0.48 0.58 0.02 0.00 0.00 177.57 178.71 2wtn h VAL 87 N 0.53 1.26 -0.31 2.57 2.07 -0.60 0.19 116.25 121.96 2wtn h VAL 87 Ca 0.14 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 2wtn h VAL 87 Cb 0.09 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2wtn h VAL 87 CO -0.02 0.29 -0.25 0.44 0.02 0.00 0.00 177.57 178.05 2wtn h ASP 88 N 1.24 0.63 -0.06 0.57 3.32 -0.67 -1.62 116.42 119.82 2wtn h ASP 88 Ca 0.31 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2wtn h ASP 88 Cb 0.04 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2wtn h ASP 88 CO -0.05 0.86 0.01 0.22 -1.72 0.00 0.00 179.24 178.56 2wtn h TYR 89 N 0.54 0.10 -0.82 4.55 3.20 -0.93 -3.14 116.97 120.46 2wtn h TYR 89 Ca 0.08 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.02 2wtn h TYR 89 Cb 0.72 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.90 2wtn h TYR 89 CO 0.03 0.30 0.53 0.00 -1.64 0.00 0.00 178.16 177.39 2wtn h ALA 90 N 0.78 1.70 0.00 1.82 0.00 -0.56 -1.76 119.26 121.25 2wtn h ALA 90 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wtn h ALA 90 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wtn h ALA 90 CO 0.00 0.14 0.00 0.87 0.00 0.00 0.00 179.25 180.26 2wtn h LYS 91 N 0.80 0.00 0.00 0.00 1.57 -1.26 -2.35 116.57 115.32 2wtn h LYS 91 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2wtn h LYS 91 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2wtn h LYS 91 CO -0.15 0.00 -0.66 1.63 -0.57 0.00 0.00 179.45 179.71 2wtn n LYS 92 N -2.39 0.17 -2.08 3.15 5.02 -0.67 -4.91 118.16 116.45 2wtn n LYS 92 Ca 0.03 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 2wtn n LYS 92 Cb 0.29 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 2wtn n LYS 92 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wtn s LEU 93 N -3.65 4.35 0.27 -0.35 1.43 -0.89 -4.92 118.68 114.92 2wtn s LEU 93 Ca 0.08 2.35 0.04 0.00 -1.03 0.00 0.00 54.13 55.57 2wtn s LEU 93 Cb 0.15 -3.57 0.37 0.00 0.03 0.00 0.00 46.19 43.17 2wtn s LEU 93 CO 0.73 -0.76 1.66 0.44 0.23 0.00 0.00 176.35 178.64 2wtn h ASP 94 N 7.52 0.35 0.73 2.29 3.32 -1.91 -2.96 116.42 125.77 2wtn h ASP 94 Ca -0.41 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2wtn h ASP 94 Cb 1.20 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2wtn h ASP 94 CO 0.90 0.74 0.00 2.22 -1.72 0.00 0.00 179.24 181.38 2wtn n PHE 95 N -4.01 0.06 -2.60 4.55 -1.74 -1.26 -4.86 117.46 107.59 2wtn n PHE 95 Ca -0.02 0.02 -0.43 0.00 -0.56 0.00 0.00 57.45 56.47 2wtn n PHE 95 Cb 0.50 -0.53 -0.02 0.00 1.52 0.00 0.00 39.48 40.94 2wtn n PHE 95 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2wtn s VAL 96 N -3.02 4.59 0.00 1.97 1.01 -1.12 -0.30 120.40 123.53 2wtn s VAL 96 Ca 0.10 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.96 2wtn s VAL 96 Cb 0.13 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2wtn s VAL 96 CO 0.38 -0.05 0.00 0.35 0.00 0.00 0.00 175.10 175.78 2wtn n THR 97 N 4.80 0.00 -3.77 3.92 -2.24 0.28 -4.88 114.28 112.40 2wtn n THR 97 Ca 0.10 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.56 2wtn n THR 97 Cb 0.47 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 2wtn n THR 97 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wtn s ASP 98 N -1.00 6.45 -0.17 3.42 1.01 -1.26 -4.96 116.67 120.16 2wtn s ASP 98 Ca 0.00 0.48 -0.01 0.00 0.71 0.00 0.00 52.55 53.74 2wtn s ASP 98 Cb 0.00 -2.05 -0.00 0.00 1.01 0.00 0.00 42.92 41.88 2wtn s ASP 98 CO 0.00 0.14 -0.13 -0.63 0.21 0.00 0.00 175.17 174.76 2wtn s ILE 99 N -1.52 2.77 0.30 0.77 1.01 -1.26 -1.27 121.20 122.01 2wtn s ILE 99 Ca 0.36 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.36 2wtn s ILE 99 Cb -0.13 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2wtn s ILE 99 CO 0.24 0.50 0.24 -0.31 0.00 0.00 0.00 174.94 175.61 2wtn s TYR 100 N 0.98 2.95 0.02 3.97 2.02 -0.55 0.26 117.35 127.00 2wtn s TYR 100 Ca -0.02 -0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.49 2wtn s TYR 100 Cb -0.15 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2wtn s TYR 100 CO -0.02 0.32 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.49 2wtn s MET 101 N -3.92 1.11 0.11 -0.62 -1.94 -1.00 -1.46 119.30 111.57 2wtn s MET 101 Ca 0.38 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.66 2wtn s MET 101 Cb -0.06 -1.12 -0.04 0.00 2.01 0.00 0.00 34.83 35.62 2wtn s MET 101 CO 0.26 0.29 -0.03 0.00 -0.01 0.00 0.00 175.02 175.53 2wtn s ALA 102 N -0.66 0.96 -0.22 3.03 0.00 0.14 -1.42 121.76 123.60 2wtn s ALA 102 Ca 0.04 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 2wtn s ALA 102 Cb -0.07 0.36 0.16 0.00 0.00 0.00 0.00 23.12 23.56 2wtn s ALA 102 CO 0.01 -0.31 1.17 0.20 0.00 0.00 0.00 175.76 176.83 2wtn s GLY 103 N -3.05 -0.11 -0.18 0.00 0.00 -0.81 -1.75 107.32 101.42 2wtn s GLY 103 Ca 0.15 2.37 -0.03 0.00 0.00 0.00 0.00 44.72 47.21 2wtn s GLY 103 CO -0.03 1.04 -0.05 -1.58 0.00 0.00 0.00 173.10 172.48 2wtn s HIS 104 N -1.13 2.96 0.00 1.90 2.46 -0.17 -0.83 115.29 120.48 2wtn s HIS 104 Ca 0.04 -0.64 0.00 0.00 0.47 0.00 0.00 55.06 54.93 2wtn s HIS 104 Cb -0.01 -2.01 0.00 0.00 -0.13 0.00 0.00 32.58 30.43 2wtn s HIS 104 CO -0.03 -0.30 0.00 0.45 -2.47 0.00 0.00 174.74 172.39 2wtn n SER 105 N 4.13 0.00 0.12 9.88 2.88 0.07 -0.94 113.62 129.77 2wtn n SER 105 Ca -0.18 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.46 2wtn n SER 105 Cb 0.52 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.57 2wtn n SER 105 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2wtn h GLN 106 N 0.00 0.16 0.00 -1.46 4.15 -1.84 0.77 115.11 116.89 2wtn h GLN 106 Ca 0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 2wtn h GLN 106 Cb 0.00 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2wtn h GLN 106 CO 0.00 0.11 -0.52 0.78 -1.93 0.00 0.00 178.83 177.27 2wtn h GLY 107 N 0.16 0.00 0.89 2.39 0.00 -0.78 -0.24 103.07 105.49 2wtn h GLY 107 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 2wtn h GLY 107 CO -0.02 0.00 0.03 -1.33 0.00 0.00 0.00 176.54 175.22 2wtn h GLY 108 N 1.96 0.09 0.68 4.60 0.00 -0.78 -0.45 103.07 109.17 2wtn h GLY 108 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.32 2wtn h GLY 108 CO 0.07 0.04 0.11 -2.00 0.00 0.00 0.00 176.54 174.76 2wtn h LEU 109 N -0.03 0.10 -1.06 3.11 5.85 -1.09 -1.52 115.31 120.67 2wtn h LEU 109 Ca 0.02 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2wtn h LEU 109 Cb 0.12 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2wtn h LEU 109 CO -0.00 0.09 0.63 0.28 -0.34 0.00 0.00 178.44 179.11 2wtn h SER 110 N 0.25 1.08 0.41 1.25 0.02 -0.89 -0.23 113.55 115.43 2wtn h SER 110 Ca 0.16 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.95 2wtn h SER 110 Cb 0.14 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2wtn h SER 110 CO -0.17 0.76 -0.56 -0.37 -1.14 0.00 0.00 176.83 175.35 2wtn h VAL 111 N 1.26 1.38 -0.67 2.27 -1.51 -0.93 0.38 116.25 118.43 2wtn h VAL 111 Ca 0.37 -1.89 -0.00 0.00 -1.23 0.00 0.00 66.70 63.95 2wtn h VAL 111 Cb -0.08 1.96 -0.03 0.00 -2.13 0.00 0.00 31.29 31.01 2wtn h VAL 111 CO -0.10 0.55 0.42 0.24 -1.23 0.00 0.00 177.57 177.45 2wtn h MET 112 N 0.12 0.91 -0.04 5.19 2.07 -0.54 -0.53 114.93 122.11 2wtn h MET 112 Ca -0.00 -0.07 -0.03 0.00 -2.07 0.00 0.00 59.70 57.52 2wtn h MET 112 Cb 1.02 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 30.56 2wtn h MET 112 CO 0.08 0.63 -0.09 -0.07 1.07 0.00 0.00 176.91 178.53 2wtn h LEU 113 N 0.91 0.15 -1.11 1.22 3.38 -0.50 -3.20 115.31 116.16 2wtn h LEU 113 Ca 0.24 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2wtn h LEU 113 Cb -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2wtn h LEU 113 CO -0.05 0.72 0.15 0.00 0.09 0.00 0.00 178.44 179.35 2wtn h ALA 114 N 0.44 1.28 -0.56 1.53 0.00 -0.20 -2.18 119.26 119.58 2wtn h ALA 114 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2wtn h ALA 114 Cb 0.70 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2wtn h ALA 114 CO 0.02 0.51 0.23 0.00 0.00 0.00 0.00 179.25 180.01 2wtn h ALA 115 N 1.40 0.72 -0.34 0.00 0.00 -1.18 0.23 119.26 120.10 2wtn h ALA 115 Ca 0.17 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2wtn h ALA 115 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wtn h ALA 115 CO -0.01 0.33 0.19 0.00 0.00 0.00 0.00 179.25 179.76 2wtn h ALA 116 N 1.07 0.42 -0.02 0.00 0.00 -1.52 0.16 119.26 119.37 2wtn h ALA 116 Ca 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2wtn h ALA 116 Cb 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wtn h ALA 116 CO -0.02 -0.18 -0.09 0.52 0.00 0.00 0.00 179.25 179.49 2wtn h MET 117 N 0.38 0.03 -0.71 0.00 2.86 -0.95 -2.76 114.93 113.78 2wtn h MET 117 Ca 0.13 -0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.35 2wtn h MET 117 Cb 0.02 -0.01 -0.24 0.00 0.06 0.00 0.00 31.60 31.43 2wtn h MET 117 CO -0.07 0.12 0.21 0.39 1.06 0.00 0.00 176.91 178.61 2wtn n GLU 118 N -4.42 2.35 0.26 1.72 -0.58 0.77 -4.87 120.64 115.86 2wtn n GLU 118 Ca -0.02 -3.30 0.11 0.00 -0.42 0.00 0.00 57.16 53.53 2wtn n GLU 118 Cb 0.17 -2.07 0.70 0.00 -0.57 0.00 0.00 31.44 29.67 2wtn n GLU 118 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2wtn h ARG 119 N 1.36 0.00 0.00 3.49 0.11 -0.39 0.29 114.38 119.24 2wtn h ARG 119 Ca 0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.51 2wtn h ARG 119 Cb 1.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.88 2wtn h ARG 119 CO 0.87 0.12 0.00 0.38 0.10 0.00 0.00 179.97 181.44 2wtn h ASP 120 N 0.00 0.00 0.00 0.08 2.03 -1.87 -3.35 116.42 113.31 2wtn h ASP 120 Ca -0.00 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.04 2wtn h ASP 120 Cb 0.27 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.72 2wtn h ASP 120 CO 0.01 0.00 -1.98 -0.38 -1.03 0.00 0.00 179.24 175.86 2wtn n ILE 121 N -2.41 0.99 -3.26 4.15 2.08 -0.04 -4.97 119.36 115.90 2wtn n ILE 121 Ca 0.04 -0.46 -0.40 0.00 0.56 0.00 0.00 62.75 62.48 2wtn n ILE 121 Cb 0.37 -0.94 -0.08 0.00 -0.75 0.00 0.00 39.64 38.24 2wtn n ILE 121 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2wtn s ILE 122 N -2.35 5.06 0.09 1.39 -1.09 -0.45 -4.37 121.20 119.48 2wtn s ILE 122 Ca -0.17 0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 58.70 2wtn s ILE 122 Cb 0.05 -3.88 -0.19 0.00 -1.58 0.00 0.00 42.46 36.86 2wtn s ILE 122 CO 0.47 -0.05 1.24 0.50 -1.23 0.00 0.00 174.94 175.87 2wtn h LYS 123 N 8.25 0.74 -3.77 2.79 3.64 -0.53 -3.47 116.57 124.22 2wtn h LYS 123 Ca -0.29 -0.70 -0.09 0.00 -1.27 0.00 0.00 60.65 58.31 2wtn h LYS 123 Cb 1.14 0.17 -0.11 0.00 -0.41 0.00 0.00 32.23 33.02 2wtn h LYS 123 CO 0.73 1.29 -0.23 0.00 -2.27 0.00 0.00 179.45 178.97 2wtn s ALA 124 N -3.54 -0.15 -0.01 5.00 0.00 -1.26 -4.20 121.76 117.60 2wtn s ALA 124 Ca -0.10 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2wtn s ALA 124 Cb 0.08 0.95 0.02 0.00 0.00 0.00 0.00 23.12 24.16 2wtn s ALA 124 CO 0.91 -0.73 0.01 -1.17 0.00 0.00 0.00 175.76 174.79 2wtn s LEU 125 N -2.98 1.41 -0.43 0.00 2.96 -0.43 -2.38 118.68 116.82 2wtn s LEU 125 Ca 0.19 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 2wtn s LEU 125 Cb 0.02 -0.07 0.13 0.00 0.50 0.00 0.00 46.19 46.77 2wtn s LEU 125 CO 0.03 -0.08 0.23 -0.63 -1.32 0.00 0.00 176.35 174.57 2wtn s ILE 126 N 0.69 1.36 -0.21 6.68 1.01 -0.50 -1.29 121.20 128.93 2wtn s ILE 126 Ca -0.06 -2.46 -0.28 0.00 0.00 0.00 0.00 60.65 57.85 2wtn s ILE 126 Cb -0.09 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2wtn s ILE 126 CO -0.02 -0.88 0.97 -2.84 0.00 0.00 0.00 174.94 172.17 2wtn s PRO 127 N 0.45 4.27 -0.36 2.79 0.02 -1.17 -1.92 135.00 139.08 2wtn s PRO 127 Ca 0.17 1.24 -0.13 0.00 0.02 0.00 0.00 61.00 62.31 2wtn s PRO 127 Cb -0.24 -3.62 0.00 0.00 0.02 0.00 0.00 34.50 30.66 2wtn s PRO 127 CO -0.01 -0.53 0.24 -0.51 -0.33 0.00 0.00 177.00 175.86 2wtn s LEU 128 N 2.84 4.66 -1.18 -5.54 1.43 -0.01 -1.91 118.68 118.97 2wtn s LEU 128 Ca 0.42 -0.70 -0.33 0.00 -1.03 0.00 0.00 54.13 52.50 2wtn s LEU 128 Cb -0.16 -2.10 0.05 0.00 0.03 0.00 0.00 46.19 44.01 2wtn s LEU 128 CO 0.09 -0.32 0.67 -1.20 0.23 0.00 0.00 176.35 175.81 2wtn n SER 129 N 5.08 -4.11 -4.75 2.29 7.64 0.24 -0.75 113.62 119.27 2wtn n SER 129 Ca -0.12 -1.28 -0.41 0.00 1.01 0.00 0.00 58.87 58.07 2wtn n SER 129 Cb 0.48 -1.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 2wtn n SER 129 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wtn s PRO 130 N -7.30 4.41 -0.66 1.43 0.04 -1.26 -2.85 135.00 128.81 2wtn s PRO 130 Ca 0.45 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.52 2wtn s PRO 130 Cb -0.25 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.05 2wtn s PRO 130 CO 0.96 -0.18 3.08 0.00 0.04 0.00 0.00 177.00 180.90 2wtn n ALA 131 N 1.87 6.72 1.51 8.56 0.00 -0.60 -4.66 120.51 133.92 2wtn n ALA 131 Ca 0.03 -2.85 0.15 0.00 0.00 0.00 0.00 53.44 50.78 2wtn n ALA 131 Cb 0.43 -2.57 0.76 0.00 0.00 0.00 0.00 19.45 18.07 2wtn n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wtn n ALA 132 N 2.19 2.56 1.31 0.00 0.00 -1.26 -2.25 120.51 123.07 2wtn n ALA 132 Ca 0.55 -0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.96 2wtn n ALA 132 Cb 0.58 -1.47 0.62 0.00 0.00 0.00 0.00 19.45 19.17 2wtn n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wtn n MET 133 N -1.18 0.46 -0.11 0.00 0.00 -1.26 -4.36 117.12 110.67 2wtn n MET 133 Ca 0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 57.70 57.69 2wtn n MET 133 Cb 0.23 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 31.97 2wtn n MET 133 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 2wtn h ILE 134 N 0.29 0.68 -0.63 3.17 2.04 -1.85 -0.71 117.51 120.50 2wtn h ILE 134 Ca 0.00 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2wtn h ILE 134 Cb 0.37 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2wtn h ILE 134 CO 0.00 0.01 0.28 -0.65 0.00 0.00 0.00 178.15 177.79 2wtn h PRO 135 N 0.06 0.90 -0.26 2.37 0.11 -1.78 -0.31 132.00 133.08 2wtn h PRO 135 Ca 0.18 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 2wtn h PRO 135 Cb 0.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 2wtn h PRO 135 CO -0.34 0.71 0.04 1.49 -0.21 0.00 0.00 178.00 179.70 2wtn h GLU 136 N 0.89 0.43 0.00 1.05 4.57 -1.62 -0.39 114.58 119.51 2wtn h GLU 136 Ca 0.22 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2wtn h GLU 136 Cb 0.13 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2wtn h GLU 136 CO -0.02 0.55 -0.31 -0.84 -1.18 0.00 0.00 179.01 177.21 2wtn h ILE 137 N 0.25 0.66 -0.32 2.32 3.07 -1.07 -2.20 117.51 120.22 2wtn h ILE 137 Ca 0.08 -1.45 -0.01 0.00 1.55 0.00 0.00 64.86 65.03 2wtn h ILE 137 Cb 0.33 1.97 -0.02 0.00 -0.27 0.00 0.00 36.82 38.83 2wtn h ILE 137 CO 0.00 0.30 0.17 0.00 -1.05 0.00 0.00 178.15 177.58 2wtn h ALA 138 N 1.69 0.42 -0.36 0.16 0.00 -0.82 -0.08 119.26 120.27 2wtn h ALA 138 Ca -0.00 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2wtn h ALA 138 Cb 0.94 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2wtn h ALA 138 CO 0.04 -0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.56 2wtn h ARG 139 N 0.40 0.00 -0.00 0.00 3.08 -0.70 -3.06 114.38 114.09 2wtn h ARG 139 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2wtn h ARG 139 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2wtn h ARG 139 CO -0.02 0.00 -0.75 0.25 -1.07 0.00 0.00 179.97 178.38 2wtn n THR 140 N -4.03 0.00 -1.25 2.04 -2.24 -0.86 -4.71 114.28 103.22 2wtn n THR 140 Ca 0.06 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2wtn n THR 140 Cb 0.49 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 2wtn n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtn n GLY 141 N 1.40 0.64 2.78 3.38 0.00 -0.20 -4.65 105.19 108.55 2wtn n GLY 141 Ca 0.05 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 2wtn n GLY 141 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wtn n GLU 142 N -1.71 2.97 -4.70 1.61 1.02 -0.27 -1.33 120.64 118.23 2wtn n GLU 142 Ca 0.00 -4.75 -0.33 0.00 -0.02 0.00 0.00 57.16 52.06 2wtn n GLU 142 Cb 0.24 -2.21 -0.12 0.00 -0.02 0.00 0.00 31.44 29.33 2wtn n GLU 142 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wtn s LEU 143 N -3.19 2.97 -1.21 -4.62 2.96 -1.20 -4.70 118.68 109.70 2wtn s LEU 143 Ca 0.46 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.21 2wtn s LEU 143 Cb 0.25 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 45.29 2wtn s LEU 143 CO -0.11 0.33 0.44 0.18 -1.32 0.00 0.00 176.35 175.88 2wtn n LEU 144 N 2.09 -2.38 -0.80 -0.68 4.77 -1.26 -1.78 117.00 116.96 2wtn n LEU 144 Ca -0.17 -0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 2wtn n LEU 144 Cb 0.53 -2.40 -0.04 0.00 -2.33 0.00 0.00 43.42 39.17 2wtn n LEU 144 CO 0.27 0.16 -0.10 0.61 -1.33 0.00 0.00 177.39 177.00 2wtn n GLY 145 N -1.33 1.12 3.63 -0.72 0.00 -1.26 -4.98 105.19 101.65 2wtn n GLY 145 Ca -0.09 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 2wtn n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wtn s LEU 146 N -2.38 3.16 -0.11 0.99 1.43 -0.73 -5.13 118.68 115.91 2wtn s LEU 146 Ca 0.00 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2wtn s LEU 146 Cb 0.00 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2wtn s LEU 146 CO 0.00 0.07 -0.20 -0.75 0.23 0.00 0.00 176.35 175.70 2wtn s LYS 147 N -3.10 2.66 0.12 1.70 2.47 -1.25 -3.27 119.74 119.07 2wtn s LYS 147 Ca 0.28 -0.73 -0.04 0.00 -1.56 0.00 0.00 55.97 53.91 2wtn s LYS 147 Cb -0.08 -2.13 -0.02 0.00 -1.46 0.00 0.00 37.83 34.13 2wtn s LYS 147 CO 0.18 0.04 0.13 -0.59 0.16 0.00 0.00 175.35 175.26 2wtn s PHE 148 N 0.70 0.57 -0.29 4.03 -0.71 -0.44 -5.04 117.98 116.80 2wtn s PHE 148 Ca -0.11 -0.97 -0.29 0.00 -1.04 0.00 0.00 56.93 54.51 2wtn s PHE 148 Cb -0.16 -0.28 -0.00 0.00 -1.21 0.00 0.00 43.02 41.37 2wtn s PHE 148 CO 0.02 -0.56 1.36 0.34 -1.34 0.00 0.00 175.22 175.03 2wtn s ASP 149 N -2.98 6.62 0.00 1.98 -1.08 -1.26 -4.38 116.67 115.58 2wtn s ASP 149 Ca 0.17 1.28 0.12 0.00 -0.52 0.00 0.00 52.55 53.60 2wtn s ASP 149 Cb 0.06 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.64 2wtn s ASP 149 CO -0.02 -1.11 1.28 -0.81 0.52 0.00 0.00 175.17 175.02 2wtn n PRO 150 N 7.37 0.23 0.00 4.34 -0.04 -1.26 -1.92 135.00 143.73 2wtn n PRO 150 Ca 0.15 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 2wtn n PRO 150 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2wtn n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wtn n GLU 151 N -1.21 0.82 -3.11 0.54 -0.58 -1.26 -4.54 120.64 111.30 2wtn n GLU 151 Ca 0.07 -0.67 -0.20 0.00 -0.42 0.00 0.00 57.16 55.94 2wtn n GLU 151 Cb 0.08 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.43 2wtn n GLU 151 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2wtn n ASN 152 N -0.50 -0.22 -4.72 1.62 4.13 -0.81 -5.12 115.26 109.63 2wtn n ASN 152 Ca 0.08 -2.90 -0.42 0.00 1.68 0.00 0.00 54.58 53.02 2wtn n ASN 152 Cb 0.42 -0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.46 2wtn n ASN 152 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wtn s ILE 153 N -1.14 2.73 0.70 2.41 1.01 -1.22 -4.49 121.20 121.20 2wtn s ILE 153 Ca 0.35 0.54 -0.16 0.00 0.00 0.00 0.00 60.65 61.38 2wtn s ILE 153 Cb 0.23 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 39.37 2wtn s ILE 153 CO -0.12 0.05 1.23 -2.84 0.00 0.00 0.00 174.94 173.27 2wtn s PRO 154 N 0.83 2.31 0.42 2.79 0.02 -1.26 -4.90 135.00 135.20 2wtn s PRO 154 Ca 0.67 1.86 0.13 0.00 0.02 0.00 0.00 61.00 63.67 2wtn s PRO 154 Cb -0.42 -1.84 0.90 0.00 0.02 0.00 0.00 34.50 33.15 2wtn s PRO 154 CO 0.33 -1.73 1.95 -0.44 -0.33 0.00 0.00 177.00 176.78 2wtn h ASP 155 N 0.03 0.07 -3.54 2.53 3.32 -1.95 -3.29 116.42 113.60 2wtn h ASP 155 Ca -0.49 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.39 2wtn h ASP 155 Cb 1.31 -0.02 -0.27 0.00 0.22 0.00 0.00 39.33 40.57 2wtn h ASP 155 CO 0.51 0.27 -0.39 -0.70 -1.72 0.00 0.00 179.24 177.20 2wtn s GLU 156 N -4.61 0.31 0.02 3.56 2.12 -1.26 -1.74 118.70 117.09 2wtn s GLU 156 Ca -0.04 0.53 0.04 0.00 0.36 0.00 0.00 54.97 55.86 2wtn s GLU 156 Cb 0.15 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 2wtn s GLU 156 CO 0.71 -0.11 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.71 2wtn s LEU 157 N 0.81 3.01 0.08 2.70 1.43 0.59 -4.92 118.68 122.38 2wtn s LEU 157 Ca -0.05 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 2wtn s LEU 157 Cb -0.06 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 2wtn s LEU 157 CO -0.05 0.27 1.19 -1.81 0.23 0.00 0.00 176.35 176.17 2wtn s ASP 158 N -1.43 7.10 0.00 2.29 1.01 -1.26 -0.75 116.67 123.62 2wtn s ASP 158 Ca 0.16 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.46 2wtn s ASP 158 Cb -0.11 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2wtn s ASP 158 CO 0.07 -0.44 0.00 0.00 0.21 0.00 0.00 175.17 175.01 2wtn n ALA 159 N 3.69 0.00 -2.07 5.23 0.00 0.02 -4.89 120.51 122.49 2wtn n ALA 159 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 2wtn n ALA 159 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 2wtn n ALA 159 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wtn s TRP 160 N 0.54 2.70 -0.80 0.00 0.51 -1.26 -4.01 118.94 116.61 2wtn s TRP 160 Ca 0.00 0.59 -0.01 0.00 -2.12 0.00 0.00 56.10 54.57 2wtn s TRP 160 Cb 0.00 -3.81 -0.01 0.00 -0.81 0.00 0.00 33.47 28.84 2wtn s TRP 160 CO 0.00 -3.13 0.67 -0.25 -0.51 0.00 0.00 176.95 173.73 2wtn n ASP 161 N 5.29 -2.56 0.00 2.95 8.00 -1.26 -2.24 116.55 126.73 2wtn n ASP 161 Ca 0.14 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.21 2wtn n ASP 161 Cb 0.42 -3.67 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 2wtn n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wtn n GLY 162 N -1.13 0.67 3.79 0.44 0.00 -1.26 -5.03 105.19 102.68 2wtn n GLY 162 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2wtn n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wtn s ARG 163 N -0.32 2.92 0.24 1.61 0.52 -0.95 -4.90 118.95 118.06 2wtn s ARG 163 Ca 0.00 1.18 0.10 0.00 -0.52 0.00 0.00 55.73 56.50 2wtn s ARG 163 Cb 0.00 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.45 2wtn s ARG 163 CO 0.00 -1.13 -0.12 -1.59 0.02 0.00 0.00 175.30 172.48 2wtn s LYS 164 N -4.45 1.94 -0.04 3.54 0.00 -1.26 -0.80 119.74 118.66 2wtn s LYS 164 Ca 0.63 -1.49 -0.02 0.00 0.00 0.00 0.00 55.97 55.09 2wtn s LYS 164 Cb -0.17 -2.00 0.03 0.00 0.00 0.00 0.00 37.83 35.69 2wtn s LYS 164 CO 0.45 0.38 0.05 -1.17 0.00 0.00 0.00 175.35 175.06 2wtn s LEU 165 N -3.24 0.31 0.70 2.77 2.96 0.07 -3.77 118.68 118.47 2wtn s LEU 165 Ca 0.28 0.04 -0.14 0.00 -0.22 0.00 0.00 54.13 54.09 2wtn s LEU 165 Cb -0.07 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.45 2wtn s LEU 165 CO 0.16 -0.23 1.13 -0.54 -1.32 0.00 0.00 176.35 175.54 2wtn s LYS 166 N 2.03 2.55 0.58 1.98 1.02 -0.39 -0.30 119.74 127.21 2wtn s LYS 166 Ca 0.04 1.43 0.36 0.00 0.02 0.00 0.00 55.97 57.82 2wtn s LYS 166 Cb -0.12 -1.91 1.63 0.00 -0.52 0.00 0.00 37.83 36.90 2wtn s LYS 166 CO -0.03 -1.45 2.08 0.78 -0.92 0.00 0.00 175.35 175.80 2wtn h GLY 167 N -0.25 0.00 1.09 -3.33 0.00 -1.41 -2.34 103.07 96.83 2wtn h GLY 167 Ca -0.46 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.93 2wtn h GLY 167 CO 0.52 0.00 0.44 3.43 0.00 0.00 0.00 176.54 180.94 2wtn h ASN 168 N 0.00 0.59 -0.54 0.19 2.35 -1.86 -1.45 115.58 114.87 2wtn h ASN 168 Ca -0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2wtn h ASN 168 Cb 0.39 -0.12 -0.11 0.00 0.05 0.00 0.00 38.32 38.52 2wtn h ASN 168 CO 0.00 0.38 -0.29 0.22 -1.65 0.00 0.00 177.43 176.10 2wtn h TYR 169 N 0.67 -0.76 -0.23 1.19 3.20 -1.63 0.32 116.97 119.72 2wtn h TYR 169 Ca 0.29 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 2wtn h TYR 169 Cb 0.28 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2wtn h TYR 169 CO -0.00 -0.35 0.02 0.28 -1.64 0.00 0.00 178.16 176.46 2wtn h VAL 170 N -0.15 1.24 -0.96 1.81 2.07 -1.53 -0.61 116.25 118.13 2wtn h VAL 170 Ca 0.23 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.95 2wtn h VAL 170 Cb 0.52 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 2wtn h VAL 170 CO -0.62 0.26 0.63 0.03 0.02 0.00 0.00 177.57 177.88 2wtn h ARG 171 N 0.18 1.16 -0.00 1.57 3.08 -0.88 -1.16 114.38 118.34 2wtn h ARG 171 Ca 0.07 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wtn h ARG 171 Cb 0.37 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2wtn h ARG 171 CO 0.01 0.77 -0.00 0.28 -1.07 0.00 0.00 179.97 179.96 2wtn h VAL 172 N 1.20 1.40 -0.98 2.04 2.07 -0.88 -3.29 116.25 117.80 2wtn h VAL 172 Ca 0.38 -1.18 0.08 0.00 0.82 0.00 0.00 66.70 66.81 2wtn h VAL 172 Cb 0.02 2.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 2wtn h VAL 172 CO -0.12 0.31 0.63 0.00 0.02 0.00 0.00 177.57 178.40 2wtn h ALA 173 N 0.50 1.40 -0.31 1.67 0.00 -0.72 -1.20 119.26 120.60 2wtn h ALA 173 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2wtn h ALA 173 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2wtn h ALA 173 CO 0.00 0.35 0.31 1.96 0.00 0.00 0.00 179.25 181.88 2wtn h GLN 174 N 1.09 0.00 0.00 0.00 4.20 -1.29 -2.44 115.11 116.68 2wtn h GLN 174 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2wtn h GLN 174 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2wtn h GLN 174 CO -0.20 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.21 2wtn n THR 175 N -3.83 0.62 -3.32 -0.54 -2.24 -0.45 -4.83 114.28 99.68 2wtn n THR 175 Ca 0.05 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.30 2wtn n THR 175 Cb 0.47 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.90 2wtn n THR 175 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wtn s ILE 176 N -3.14 5.13 -0.95 2.28 1.01 -0.92 -4.99 121.20 119.62 2wtn s ILE 176 Ca 0.09 0.76 -0.15 0.00 0.00 0.00 0.00 60.65 61.35 2wtn s ILE 176 Cb 0.12 -3.77 0.20 0.00 0.01 0.00 0.00 42.46 39.02 2wtn s ILE 176 CO 0.54 0.15 1.00 -0.13 0.00 0.00 0.00 174.94 176.50 2wtn s ARG 177 N 1.95 3.76 0.28 2.79 0.52 -1.26 -4.80 118.95 122.18 2wtn s ARG 177 Ca 0.19 -2.40 0.01 0.00 -0.52 0.00 0.00 55.73 53.01 2wtn s ARG 177 Cb -0.15 -4.66 0.56 0.00 0.52 0.00 0.00 34.95 31.22 2wtn s ARG 177 CO 0.09 -1.48 1.80 0.28 0.02 0.00 0.00 175.30 176.02 2wtn h VAL 178 N 4.89 0.83 -0.43 3.52 2.07 -1.94 -1.88 116.25 123.30 2wtn h VAL 178 Ca 0.16 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2wtn h VAL 178 Cb 0.99 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2wtn h VAL 178 CO 0.95 0.15 0.30 -0.33 0.02 0.00 0.00 177.57 178.66 2wtn h GLU 179 N 0.83 0.28 -0.73 1.57 3.07 -1.96 -0.60 114.58 117.04 2wtn h GLU 179 Ca 0.49 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.30 2wtn h GLU 179 Cb 0.59 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 2wtn h GLU 179 CO -0.31 0.19 0.31 -0.44 -1.40 0.00 0.00 179.01 177.36 2wtn h ASP 180 N 0.29 0.98 0.30 1.42 3.32 -1.77 -1.90 116.42 119.06 2wtn h ASP 180 Ca 0.19 -0.13 -0.22 0.00 0.02 0.00 0.00 57.03 56.90 2wtn h ASP 180 Cb 0.40 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2wtn h ASP 180 CO -0.04 0.86 -0.90 -0.26 -1.72 0.00 0.00 179.24 177.18 2wtn h PHE 181 N 1.05 0.62 -0.25 4.55 0.04 -1.22 -2.59 116.94 119.15 2wtn h PHE 181 Ca 0.25 -0.32 0.02 0.00 2.80 0.00 0.00 57.97 60.71 2wtn h PHE 181 Cb 0.17 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 2wtn h PHE 181 CO 0.02 1.13 0.11 0.28 -0.60 0.00 0.00 178.31 179.24 2wtn h VAL 182 N 0.25 0.97 -0.15 -0.55 2.07 -1.25 -2.63 116.25 114.97 2wtn h VAL 182 Ca -0.07 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2wtn h VAL 182 Cb 1.52 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2wtn h VAL 182 CO 0.16 0.04 -0.01 0.44 0.02 0.00 0.00 177.57 178.22 2wtn h ASP 183 N 0.24 0.19 0.61 0.57 3.32 -1.24 -2.75 116.42 117.37 2wtn h ASP 183 Ca 0.10 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wtn h ASP 183 Cb 0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2wtn h ASP 183 CO -0.08 0.25 -0.26 0.29 -1.72 0.00 0.00 179.24 177.72 2wtn n LYS 184 N -4.39 0.18 -3.69 3.56 4.76 -0.99 -4.64 118.16 112.95 2wtn n LYS 184 Ca -0.01 -0.07 -0.38 0.00 -2.87 0.00 0.00 58.31 54.98 2wtn n LYS 184 Cb 0.17 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.76 2wtn n LYS 184 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2wtn s TYR 185 N -2.87 3.44 -1.63 2.13 5.04 -1.04 -4.87 117.35 117.56 2wtn s TYR 185 Ca 0.16 -1.97 0.16 0.00 -2.44 0.00 0.00 57.07 52.98 2wtn s TYR 185 Cb 0.19 -3.07 0.31 0.00 0.35 0.00 0.00 41.96 39.74 2wtn s TYR 185 CO 0.59 -0.92 1.22 0.25 -1.34 0.00 0.00 175.55 175.36 2wtn n THR 186 N 4.76 0.59 -2.07 4.34 -2.24 -1.26 -4.61 114.28 113.79 2wtn n THR 186 Ca -0.07 -0.79 -0.28 0.00 -2.27 0.00 0.00 64.05 60.63 2wtn n THR 186 Cb 0.42 0.85 0.15 0.00 -2.10 0.00 0.00 70.33 69.65 2wtn n THR 186 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wtn s LYS 187 N -1.14 1.11 0.23 -0.78 1.02 -1.26 -4.53 119.74 114.38 2wtn s LYS 187 Ca 0.28 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 2wtn s LYS 187 Cb 0.16 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.40 2wtn s LYS 187 CO 0.22 -2.05 1.42 -2.14 -0.92 0.00 0.00 175.35 171.88 2wtn s PRO 188 N -5.66 4.29 -0.02 -1.68 0.02 -1.26 -4.49 135.00 126.19 2wtn s PRO 188 Ca 0.70 2.25 0.06 0.00 0.02 0.00 0.00 61.00 64.04 2wtn s PRO 188 Cb -0.05 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 2wtn s PRO 188 CO 0.50 -0.41 -0.21 0.08 -0.33 0.00 0.00 177.00 176.64 2wtn s VAL 189 N 0.16 1.68 -0.30 3.83 1.01 0.21 -1.32 120.40 125.67 2wtn s VAL 189 Ca 0.60 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2wtn s VAL 189 Cb -0.41 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.62 2wtn s VAL 189 CO 0.41 0.48 -0.01 -0.22 0.00 0.00 0.00 175.10 175.75 2wtn s LEU 190 N -0.41 3.87 -0.11 3.92 2.96 -0.41 -1.07 118.68 127.43 2wtn s LEU 190 Ca 0.06 -1.30 -0.13 0.00 -0.22 0.00 0.00 54.13 52.54 2wtn s LEU 190 Cb -0.09 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 2wtn s LEU 190 CO -0.00 -0.26 0.29 -0.63 -1.32 0.00 0.00 176.35 174.43 2wtn s ILE 191 N 1.23 5.27 -0.06 6.68 1.01 0.22 -3.04 121.20 132.51 2wtn s ILE 191 Ca -0.05 0.55 0.05 0.00 0.00 0.00 0.00 60.65 61.20 2wtn s ILE 191 Cb -0.20 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 2wtn s ILE 191 CO -0.02 0.50 -0.21 -0.69 0.00 0.00 0.00 174.94 174.52 2wtn s VAL 192 N -0.31 1.78 -0.20 2.92 1.01 -0.80 -0.56 120.40 124.24 2wtn s VAL 192 Ca 0.18 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 2wtn s VAL 192 Cb -0.14 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.78 2wtn s VAL 192 CO 0.07 0.50 0.49 -2.28 0.00 0.00 0.00 175.10 173.88 2wtn s HIS 193 N 0.04 -0.69 0.09 5.22 5.04 -0.92 0.82 115.29 124.90 2wtn s HIS 193 Ca -0.07 1.48 -0.27 0.00 -1.54 0.00 0.00 55.06 54.65 2wtn s HIS 193 Cb -0.14 0.32 -0.06 0.00 0.04 0.00 0.00 32.58 32.75 2wtn s HIS 193 CO 0.04 -0.36 0.86 0.20 -2.34 0.00 0.00 174.74 173.14 2wtn s GLY 194 N 1.16 2.91 0.00 1.59 0.00 -1.26 -1.16 107.32 110.56 2wtn s GLY 194 Ca -0.07 0.43 0.10 0.00 0.00 0.00 0.00 44.72 45.18 2wtn s GLY 194 CO -0.11 1.25 1.31 2.09 0.00 0.00 0.00 173.10 177.64 2wtn n ASP 195 N 2.67 0.71 -1.60 1.64 5.68 -0.83 -2.26 116.55 122.55 2wtn n ASP 195 Ca -0.01 -1.82 -0.14 0.00 -0.50 0.00 0.00 54.79 52.32 2wtn n ASP 195 Cb 0.49 -0.07 0.08 0.00 -1.14 0.00 0.00 41.12 40.48 2wtn n ASP 195 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wtn n GLN 196 N -0.19 2.95 -2.09 0.11 1.13 -0.56 -4.84 117.38 113.89 2wtn n GLN 196 Ca 0.09 -3.88 -0.42 0.00 -1.94 0.00 0.00 57.00 50.84 2wtn n GLN 196 Cb 0.14 -2.05 -0.03 0.00 0.11 0.00 0.00 30.24 28.41 2wtn n GLN 196 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2wtn s ASP 197 N -3.48 5.89 0.44 1.08 -1.08 -0.96 -4.36 116.67 114.20 2wtn s ASP 197 Ca 0.47 1.02 0.18 0.00 -0.52 0.00 0.00 52.55 53.69 2wtn s ASP 197 Cb 0.40 -2.53 1.11 0.00 -1.46 0.00 0.00 42.92 40.44 2wtn s ASP 197 CO 0.00 -1.76 1.92 1.05 0.52 0.00 0.00 175.17 176.90 2wtn h GLU 198 N 12.72 0.34 0.00 4.34 4.11 -1.91 -3.35 114.58 130.84 2wtn h GLU 198 Ca -0.31 -0.02 -0.24 0.00 0.07 0.00 0.00 59.36 58.86 2wtn h GLU 198 Cb 1.15 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 2wtn h GLU 198 CO 1.08 0.23 -1.91 0.00 0.07 0.00 0.00 179.01 178.47 2wtn n ALA 199 N -2.54 1.67 -3.63 1.06 0.00 -1.26 -4.94 120.51 110.86 2wtn n ALA 199 Ca 0.14 -0.86 -0.23 0.00 0.00 0.00 0.00 53.44 52.50 2wtn n ALA 199 Cb 0.57 -0.01 -0.17 0.00 0.00 0.00 0.00 19.45 19.84 2wtn n ALA 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wtn s VAL 200 N -2.32 -0.12 0.11 0.00 1.01 -1.26 -5.11 120.40 112.72 2wtn s VAL 200 Ca -0.08 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 2wtn s VAL 200 Cb 0.04 -0.41 -0.10 0.00 0.00 0.00 0.00 36.38 35.91 2wtn s VAL 200 CO 0.52 -0.09 1.80 -2.84 0.00 0.00 0.00 175.10 174.50 2wtn s PRO 201 N 2.17 4.15 0.31 2.72 0.02 -1.26 -4.70 135.00 138.40 2wtn s PRO 201 Ca 0.03 2.54 0.03 0.00 0.02 0.00 0.00 61.00 63.63 2wtn s PRO 201 Cb -0.14 -3.62 0.78 0.00 0.02 0.00 0.00 34.50 31.54 2wtn s PRO 201 CO -0.07 -0.83 1.59 -0.92 -0.33 0.00 0.00 177.00 176.44 2wtn h TYR 202 N 8.64 0.10 0.00 6.54 3.20 -1.83 -2.74 116.97 130.88 2wtn h TYR 202 Ca -0.45 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.44 2wtn h TYR 202 Cb 1.21 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 2wtn h TYR 202 CO 0.80 -0.39 -0.17 1.49 -1.64 0.00 0.00 178.16 178.25 2wtn h GLU 203 N 0.05 0.00 -0.88 1.82 4.57 -1.96 -0.60 114.58 117.57 2wtn h GLU 203 Ca 0.60 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.78 2wtn h GLU 203 Cb 1.28 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.82 2wtn h GLU 203 CO -0.85 0.17 0.54 0.00 -1.18 0.00 0.00 179.01 177.69 2wtn h ALA 204 N 1.83 1.12 -0.02 2.92 0.00 -1.88 -1.84 119.26 121.39 2wtn h ALA 204 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2wtn h ALA 204 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wtn h ALA 204 CO 0.02 0.57 -0.31 0.77 0.00 0.00 0.00 179.25 180.30 2wtn h SER 205 N 1.20 0.04 -0.01 0.00 0.02 -1.25 -0.99 113.55 112.57 2wtn h SER 205 Ca 0.32 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2wtn h SER 205 Cb -0.06 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2wtn h SER 205 CO -0.06 0.35 0.01 0.58 -1.14 0.00 0.00 176.83 176.56 2wtn h VAL 206 N 0.03 1.01 -0.30 2.27 2.07 -1.27 -0.37 116.25 119.70 2wtn h VAL 206 Ca 0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2wtn h VAL 206 Cb 0.57 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2wtn h VAL 206 CO 0.04 0.01 0.15 0.00 0.02 0.00 0.00 177.57 177.79 2wtn h ALA 207 N 1.00 0.38 -0.79 1.67 0.00 -0.89 -2.26 119.26 118.36 2wtn h ALA 207 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2wtn h ALA 207 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2wtn h ALA 207 CO -0.00 -0.07 0.45 0.74 0.00 0.00 0.00 179.25 180.37 2wtn h PHE 208 N 0.35 1.07 0.00 0.00 0.04 -1.16 -2.03 116.94 115.20 2wtn h PHE 208 Ca 0.10 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2wtn h PHE 208 Cb 0.10 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 37.90 2wtn h PHE 208 CO -0.02 0.73 -0.08 0.66 -0.60 0.00 0.00 178.31 179.00 2wtn h SER 209 N 1.10 0.00 0.68 2.17 4.64 -0.49 -1.15 113.55 120.50 2wtn h SER 209 Ca 0.28 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.34 2wtn h SER 209 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2wtn h SER 209 CO -0.05 0.08 -1.40 0.11 -0.87 0.00 0.00 176.83 174.70 2wtn h LYS 210 N 0.00 0.06 -0.44 4.77 1.79 -1.04 -3.34 116.57 118.37 2wtn h LYS 210 Ca -0.00 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 2wtn h LYS 210 Cb 0.17 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2wtn h LYS 210 CO 0.01 0.83 0.06 0.37 -1.08 0.00 0.00 179.45 179.64 2wtn h GLN 211 N 0.02 0.74 -6.86 3.15 4.15 -0.62 -3.44 115.11 112.24 2wtn h GLN 211 Ca -0.17 -0.20 -0.56 0.00 0.77 0.00 0.00 58.65 58.49 2wtn h GLN 211 Cb 1.92 -0.08 0.12 0.00 0.21 0.00 0.00 27.48 29.64 2wtn h GLN 211 CO 0.12 0.77 0.59 0.66 -1.93 0.00 0.00 178.83 179.04 2wtn n TYR 212 N -4.46 2.44 0.25 3.99 4.01 -0.52 -4.87 117.16 117.99 2wtn n TYR 212 Ca 0.00 0.49 0.08 0.00 -0.16 0.00 0.00 57.90 58.31 2wtn n TYR 212 Cb 0.25 -2.43 0.63 0.00 -0.31 0.00 0.00 39.34 37.48 2wtn n TYR 212 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2wtn h LYS 213 N 2.40 0.00 -1.28 -0.72 3.11 -1.85 -3.38 116.57 114.84 2wtn h LYS 213 Ca -0.49 0.00 -0.38 0.00 -2.81 0.00 0.00 60.65 56.97 2wtn h LYS 213 Cb 1.28 0.00 -0.27 0.00 -1.00 0.00 0.00 32.23 32.24 2wtn h LYS 213 CO 0.61 0.11 -0.77 -1.71 -2.81 0.00 0.00 179.45 174.88 2wtn n ASN 214 N -4.18 -1.62 -4.03 4.20 2.85 -1.26 -5.09 115.26 106.12 2wtn n ASN 214 Ca -0.03 -2.85 -0.22 0.00 -0.11 0.00 0.00 54.58 51.37 2wtn n ASN 214 Cb 0.19 0.60 -0.16 0.00 1.24 0.00 0.00 39.78 41.65 2wtn n ASN 214 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wtn s LYS 216 N 0.28 3.46 -0.17 0.00 2.20 -0.23 -4.92 119.74 120.36 2wtn s LYS 216 Ca -0.06 -0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 55.09 2wtn s LYS 216 Cb -0.11 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 2wtn s LYS 216 CO 0.01 0.46 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.28 2wtn s LEU 217 N -0.19 3.37 -0.22 5.43 2.96 -1.26 -0.61 118.68 128.16 2wtn s LEU 217 Ca 0.05 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2wtn s LEU 217 Cb -0.12 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.76 2wtn s LEU 217 CO 0.02 0.15 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.38 2wtn s VAL 218 N 0.51 2.43 0.18 1.68 1.01 0.27 -4.98 120.40 121.51 2wtn s VAL 218 Ca -0.01 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 2wtn s VAL 218 Cb -0.14 -2.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 2wtn s VAL 218 CO 0.02 0.31 0.94 -0.89 0.00 0.00 0.00 175.10 175.49 2wtn s THR 219 N 1.28 4.27 -0.47 3.92 2.01 -1.26 -2.16 115.64 123.22 2wtn s THR 219 Ca 0.01 2.07 -0.09 0.00 0.31 0.00 0.00 61.69 63.99 2wtn s THR 219 Cb -0.16 -4.32 0.12 0.00 0.01 0.00 0.00 72.50 68.15 2wtn s THR 219 CO -0.08 0.42 0.34 -0.63 -0.69 0.00 0.00 174.62 173.98 2wtn s ILE 220 N -0.66 4.21 0.12 1.82 -1.09 -0.31 -4.92 121.20 120.37 2wtn s ILE 220 Ca 0.43 -1.78 -0.31 0.00 -2.23 0.00 0.00 60.65 56.77 2wtn s ILE 220 Cb -0.25 -3.77 -0.08 0.00 -1.58 0.00 0.00 42.46 36.79 2wtn s ILE 220 CO 0.31 -0.77 1.31 -2.84 -1.23 0.00 0.00 174.94 171.72 2wtn s PRO 221 N 1.36 4.37 0.00 2.79 0.02 -1.26 -1.97 135.00 140.31 2wtn s PRO 221 Ca 0.06 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.06 2wtn s PRO 221 Cb -0.26 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.00 2wtn s PRO 221 CO -0.01 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 2wtn n GLY 222 N 3.11 1.33 3.96 0.52 0.00 -1.26 -4.91 105.19 107.94 2wtn n GLY 222 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2wtn n GLY 222 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wtn s ASP 223 N -3.04 6.05 0.73 1.61 -1.08 -0.93 -4.61 116.67 115.40 2wtn s ASP 223 Ca 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.19 2wtn s ASP 223 Cb 0.00 -1.61 0.14 0.00 -1.46 0.00 0.00 42.92 39.99 2wtn s ASP 223 CO 0.00 -0.44 0.99 0.35 0.52 0.00 0.00 175.17 176.60 2wtn n THR 224 N -1.79 0.00 -0.18 1.71 -2.24 -1.26 -1.49 114.28 109.03 2wtn n THR 224 Ca -0.02 -1.60 -0.07 0.00 -2.27 0.00 0.00 64.05 60.09 2wtn n THR 224 Cb 0.57 -0.87 0.03 0.00 -2.10 0.00 0.00 70.33 67.96 2wtn n THR 224 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2wtn h HIS 225 N -0.57 0.65 -0.57 4.78 -0.00 -1.91 -2.77 115.15 114.76 2wtn h HIS 225 Ca -0.33 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 2wtn h HIS 225 Cb 1.23 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 2wtn h HIS 225 CO 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 177.93 178.33 2wtn n TYR 227 N 0.60 -2.26 0.17 0.00 4.01 -1.04 -4.79 117.16 113.85 2wtn n TYR 227 Ca 0.28 0.90 0.03 0.00 -0.16 0.00 0.00 57.90 58.95 2wtn n TYR 227 Cb 1.18 -4.71 0.41 0.00 -0.31 0.00 0.00 39.34 35.91 2wtn n TYR 227 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2wtn h ASP 228 N -1.64 0.08 0.00 7.72 3.32 -1.93 -3.17 116.42 120.80 2wtn h ASP 228 Ca -0.60 -0.02 -0.37 0.00 0.02 0.00 0.00 57.03 56.07 2wtn h ASP 228 Cb 1.33 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.79 2wtn h ASP 228 CO 0.48 0.33 -2.39 1.41 -1.72 0.00 0.00 179.24 177.36 2wtn n HIS 229 N -4.22 0.00 -2.63 4.55 8.25 -1.26 -4.74 115.22 115.17 2wtn n HIS 229 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 2wtn n HIS 229 Cb 0.32 -0.96 0.04 0.00 1.12 0.00 0.00 29.99 30.51 2wtn n HIS 229 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2wtn n HIS 230 N -3.05 1.67 -0.28 4.41 8.25 -1.25 -4.86 115.22 120.10 2wtn n HIS 230 Ca -0.40 -2.41 0.15 0.00 -0.26 0.00 0.00 57.72 54.81 2wtn n HIS 230 Cb 1.02 -0.27 0.42 0.00 1.12 0.00 0.00 29.99 32.28 2wtn n HIS 230 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wtn h LEU 231 N 2.64 0.59 -1.98 2.41 5.85 -1.84 -0.40 115.31 122.57 2wtn h LEU 231 Ca -0.01 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2wtn h LEU 231 Cb 1.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2wtn h LEU 231 CO 0.42 0.25 0.16 -0.08 -0.34 0.00 0.00 178.44 178.85 2wtn h GLU 232 N 0.60 0.02 -0.16 1.25 4.81 -1.91 -0.77 114.58 118.42 2wtn h GLU 232 Ca 0.50 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.60 2wtn h GLU 232 Cb 0.97 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2wtn h GLU 232 CO -0.24 0.01 -0.46 -0.07 -0.73 0.00 0.00 179.01 177.52 2wtn h LEU 233 N 0.02 0.42 -0.19 1.64 4.07 -1.47 -2.13 115.31 117.68 2wtn h LEU 233 Ca 0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 2wtn h LEU 233 Cb 0.40 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 2wtn h LEU 233 CO -0.00 0.82 0.04 0.58 -1.08 0.00 0.00 178.44 178.80 2wtn h VAL 234 N 0.32 1.21 -0.21 1.22 2.07 -1.13 -1.00 116.25 118.73 2wtn h VAL 234 Ca 0.02 -0.66 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 2wtn h VAL 234 Cb 0.93 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2wtn h VAL 234 CO 0.08 0.20 -0.35 0.71 0.02 0.00 0.00 177.57 178.24 2wtn h THR 235 N 0.11 1.29 -0.37 2.57 1.35 -1.43 -0.31 112.91 116.12 2wtn h THR 235 Ca 0.06 -1.44 -0.15 0.00 -0.55 0.00 0.00 66.41 64.33 2wtn h THR 235 Cb 0.27 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 2wtn h THR 235 CO 0.00 0.45 -0.36 -0.33 -0.25 0.00 0.00 175.52 175.02 2wtn h GLU 236 N 0.37 0.91 -0.26 4.72 4.39 -1.32 0.69 114.58 124.08 2wtn h GLU 236 Ca 0.04 -0.48 0.02 0.00 0.34 0.00 0.00 59.36 59.28 2wtn h GLU 236 Cb 0.78 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2wtn h GLU 236 CO 0.06 1.13 0.13 0.00 -1.16 0.00 0.00 179.01 179.17 2wtn h ALA 237 N 0.76 0.31 -0.22 3.43 0.00 -0.57 -1.76 119.26 121.21 2wtn h ALA 237 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wtn h ALA 237 Cb 0.96 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2wtn h ALA 237 CO 0.09 -0.27 0.14 0.28 0.00 0.00 0.00 179.25 179.50 2wtn h VAL 238 N 0.27 1.07 -0.45 0.00 2.07 -0.91 -2.51 116.25 115.79 2wtn h VAL 238 Ca 0.10 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.54 2wtn h VAL 238 Cb 0.03 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 2wtn h VAL 238 CO -0.07 0.07 -0.50 0.50 0.02 0.00 0.00 177.57 177.58 2wtn h LYS 239 N 0.29 -0.33 -0.36 1.57 3.64 -0.79 -0.83 116.57 119.77 2wtn h LYS 239 Ca 0.08 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2wtn h LYS 239 Cb -0.01 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2wtn h LYS 239 CO -0.02 -0.22 -0.24 0.93 -2.27 0.00 0.00 179.45 177.63 2wtn h GLU 240 N -0.34 0.71 -0.51 1.90 5.08 -1.25 -1.19 114.58 118.98 2wtn h GLU 240 Ca 0.11 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2wtn h GLU 240 Cb 0.59 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2wtn h GLU 240 CO -0.62 0.89 0.17 0.35 -1.00 0.00 0.00 179.01 178.80 2wtn h PHE 241 N 0.62 0.81 -0.20 4.33 3.57 -1.36 -1.95 116.94 122.76 2wtn h PHE 241 Ca 0.08 -0.08 -0.20 0.00 3.53 0.00 0.00 57.97 61.31 2wtn h PHE 241 Cb 0.74 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2wtn h PHE 241 CO 0.04 0.69 -0.65 0.52 -2.23 0.00 0.00 178.31 176.68 2wtn h MET 242 N 0.69 0.74 -0.43 1.11 2.86 -0.97 -1.28 114.93 117.66 2wtn h MET 242 Ca 0.17 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.27 2wtn h MET 242 Cb 0.26 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2wtn h MET 242 CO -0.01 1.15 0.24 -0.07 1.06 0.00 0.00 176.91 179.29 2wtn h LEU 243 N 0.54 0.53 -1.79 1.22 3.38 -1.23 0.18 115.31 118.14 2wtn h LEU 243 Ca -0.02 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2wtn h LEU 243 Cb 1.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2wtn h LEU 243 CO 0.13 0.45 0.16 -0.08 0.09 0.00 0.00 178.44 179.20 2wtn h GLU 244 N 0.56 0.28 0.22 1.13 4.81 -1.30 -0.87 114.58 119.41 2wtn h GLU 244 Ca 0.15 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 59.04 2wtn h GLU 244 Cb 0.03 -0.06 0.03 0.00 0.63 0.00 0.00 28.75 29.38 2wtn h GLU 244 CO -0.03 0.18 -1.42 1.96 -0.73 0.00 0.00 179.01 178.98 2wtn h GLN 245 N 0.29 0.47 -0.63 1.92 1.08 0.05 -3.11 115.11 115.18 2wtn h GLN 245 Ca 0.09 -0.80 0.07 0.00 -1.45 0.00 0.00 58.65 56.56 2wtn h GLN 245 Cb 0.03 0.30 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 2wtn h GLN 245 CO -0.02 1.38 0.42 0.82 -0.95 0.00 0.00 178.83 180.48 2wtn h ILE 246 N 0.13 0.98 0.00 2.54 2.04 -0.47 -2.88 117.51 119.84 2wtn h ILE 246 Ca -0.22 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2wtn h ILE 246 Cb 2.12 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2wtn h ILE 246 CO 0.26 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.51 2wtn n ALA 247 N -2.48 2.11 1.77 1.87 0.00 -0.35 -5.09 120.51 118.35 2wtn n ALA 247 Ca 0.09 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.61 2wtn n ALA 247 Cb 0.27 -1.40 0.84 0.00 0.00 0.00 0.00 19.45 19.16 2wtn n ALA 247 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13