#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl n LYS 2 N 0.00 0.00 -2.74 0.03 5.02 -1.26 -4.31 118.16 114.90 2wdl n LYS 2 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2wdl n LYS 2 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 2wdl n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wdl s GLY 3 N 0.00 1.80 0.00 0.72 0.00 -1.26 -3.64 107.32 104.94 2wdl s GLY 3 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.05 2wdl s GLY 3 CO 0.00 -1.26 0.00 4.51 0.00 0.00 0.00 173.10 176.35 2wdl n ILE 4 N -2.44 0.00 -3.56 0.90 0.13 -1.15 -4.96 119.36 108.28 2wdl n ILE 4 Ca 0.12 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.58 2wdl n ILE 4 Cb 0.60 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.39 2wdl n ILE 4 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2wdl s LEU 5 N 0.00 3.98 0.00 9.51 1.43 -1.26 -0.84 118.68 131.49 2wdl s LEU 5 Ca 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2wdl s LEU 5 Cb 0.00 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2wdl s LEU 5 CO 0.00 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 2wdl n GLY 6 N -1.59 1.63 3.20 -3.19 0.00 -0.08 -4.12 105.19 101.05 2wdl n GLY 6 Ca -0.01 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 2wdl n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wdl s VAL 7 N -2.51 -0.01 0.09 1.61 -7.23 -0.74 -2.01 120.40 109.61 2wdl s VAL 7 Ca 0.00 0.05 -0.31 0.00 -1.81 0.00 0.00 61.98 59.91 2wdl s VAL 7 Cb 0.00 -0.48 -0.09 0.00 0.56 0.00 0.00 36.38 36.37 2wdl s VAL 7 CO 0.00 0.02 1.77 -0.75 -0.31 0.00 0.00 175.10 175.83 2wdl s LYS 8 N 0.63 4.16 0.00 4.82 2.20 -0.34 -1.77 119.74 129.44 2wdl s LYS 8 Ca -0.04 2.49 0.14 0.00 -0.36 0.00 0.00 55.97 58.21 2wdl s LYS 8 Cb -0.05 -3.64 0.27 0.00 -1.51 0.00 0.00 37.83 32.90 2wdl s LYS 8 CO -0.04 -0.81 1.17 1.33 -0.36 0.00 0.00 175.35 176.64 2wdl n VAL 9 N 4.81 0.55 0.00 4.02 0.24 0.48 0.54 118.33 128.96 2wdl n VAL 9 Ca 0.17 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 2wdl n VAL 9 Cb 0.39 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 2wdl n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdl n GLY 10 N 0.83 0.93 3.37 7.63 0.00 -1.23 -4.90 105.19 111.82 2wdl n GLY 10 Ca 0.12 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 2wdl n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wdl s MET 11 N -1.23 0.84 0.00 1.61 0.23 -1.26 -0.12 119.30 119.38 2wdl s MET 11 Ca 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 55.69 54.69 2wdl s MET 11 Cb 0.00 0.39 0.00 0.00 -1.53 0.00 0.00 34.83 33.69 2wdl s MET 11 CO 0.00 -0.25 0.00 0.25 -2.03 0.00 0.00 175.02 172.99 2wdl n THR 12 N 1.14 0.00 -4.58 3.16 -2.24 -0.81 -4.98 114.28 105.98 2wdl n THR 12 Ca -0.20 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 2wdl n THR 12 Cb 0.56 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 2wdl n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdl s ARG 13 N -1.21 1.89 0.28 -0.78 1.70 -1.26 -0.60 118.95 118.97 2wdl s ARG 13 Ca 0.00 -2.09 0.03 0.00 -0.47 0.00 0.00 55.73 53.20 2wdl s ARG 13 Cb 0.00 -1.29 -0.01 0.00 -0.57 0.00 0.00 34.95 33.08 2wdl s ARG 13 CO 0.00 -0.17 0.31 0.44 -1.08 0.00 0.00 175.30 174.80 2wdl n ILE 14 N -0.91 0.00 -5.06 4.99 -5.35 -0.51 -4.89 119.36 107.62 2wdl n ILE 14 Ca -0.06 -1.77 -0.31 0.00 -0.27 0.00 0.00 62.75 60.34 2wdl n ILE 14 Cb 0.67 0.96 -0.15 0.00 -1.74 0.00 0.00 39.64 39.38 2wdl n ILE 14 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2wdl s PHE 15 N -3.18 2.40 -0.06 4.28 0.08 -1.26 0.26 117.98 120.49 2wdl s PHE 15 Ca 0.29 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 56.94 2wdl s PHE 15 Cb 0.01 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 41.02 2wdl s PHE 15 CO 0.21 0.07 0.10 1.03 -0.10 0.00 0.00 175.22 176.53 2wdl s ARG 16 N -0.92 -0.02 0.00 0.44 0.52 -0.34 -4.86 118.95 113.76 2wdl s ARG 16 Ca 0.11 0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 2wdl s ARG 16 Cb -0.10 -0.38 0.00 0.00 0.52 0.00 0.00 34.95 34.99 2wdl s ARG 16 CO 0.01 -0.30 0.00 -3.47 0.02 0.00 0.00 175.30 171.56 2wdl n ASP 17 N 5.15 0.00 0.00 0.23 4.64 -1.26 -1.39 116.55 123.93 2wdl n ASP 17 Ca -0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.34 2wdl n ASP 17 Cb 0.50 -0.07 0.00 0.00 -1.04 0.00 0.00 41.12 40.51 2wdl n ASP 17 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2wdl n ASP 18 N 0.11 0.00 -3.86 1.67 8.00 -1.26 -5.17 116.55 116.05 2wdl n ASP 18 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 2wdl n ASP 18 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 2wdl n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdl s ARG 19 N 0.00 0.12 -0.25 -1.24 1.70 -0.48 -5.13 118.95 113.67 2wdl s ARG 19 Ca 0.00 0.02 -0.29 0.00 -0.47 0.00 0.00 55.73 54.98 2wdl s ARG 19 Cb 0.00 -0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.19 2wdl s ARG 19 CO 0.00 -0.03 1.15 0.00 -1.08 0.00 0.00 175.30 175.34 2wdl s ALA 20 N 0.35 3.57 -0.14 7.88 0.00 -1.26 -1.20 121.76 130.96 2wdl s ALA 20 Ca -0.03 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.05 2wdl s ALA 20 Cb -0.05 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2wdl s ALA 20 CO -0.01 -1.33 0.05 0.14 0.00 0.00 0.00 175.76 174.62 2wdl s VAL 21 N 3.61 4.71 -0.10 0.00 -7.23 0.14 -4.90 120.40 116.62 2wdl s VAL 21 Ca 0.49 -0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.29 2wdl s VAL 21 Cb -0.16 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.70 2wdl s VAL 21 CO 0.14 0.54 1.11 -2.16 -0.31 0.00 0.00 175.10 174.41 2wdl s PRO 22 N -0.30 4.36 0.16 4.82 0.04 -1.26 -1.43 135.00 141.39 2wdl s PRO 22 Ca 0.08 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.72 2wdl s PRO 22 Cb -0.12 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 2wdl s PRO 22 CO 0.02 -0.43 -0.17 0.14 0.04 0.00 0.00 177.00 176.60 2wdl s VAL 23 N 2.33 1.68 0.04 -0.36 -7.23 0.24 -3.86 120.40 113.24 2wdl s VAL 23 Ca 0.51 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.86 2wdl s VAL 23 Cb -0.21 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2wdl s VAL 23 CO 0.18 -0.37 -0.21 0.28 -0.31 0.00 0.00 175.10 174.67 2wdl s THR 24 N -2.17 1.70 -0.21 5.32 -1.32 -0.93 -1.92 115.64 116.11 2wdl s THR 24 Ca 0.15 -1.19 -0.09 0.00 -1.21 0.00 0.00 61.69 59.34 2wdl s THR 24 Cb -0.05 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.42 2wdl s THR 24 CO 0.06 0.23 0.11 -0.69 -2.21 0.00 0.00 174.62 172.12 2wdl s VAL 25 N -0.78 5.05 -0.03 5.08 1.01 0.84 -2.31 120.40 129.25 2wdl s VAL 25 Ca 0.08 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2wdl s VAL 25 Cb -0.09 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2wdl s VAL 25 CO 0.02 0.41 -0.25 -0.63 0.00 0.00 0.00 175.10 174.64 2wdl s ILE 26 N 0.72 2.08 -0.36 2.22 -1.09 -0.56 -0.39 121.20 123.82 2wdl s ILE 26 Ca 0.06 -1.08 -0.13 0.00 -2.23 0.00 0.00 60.65 57.26 2wdl s ILE 26 Cb -0.13 -1.73 -0.01 0.00 -1.58 0.00 0.00 42.46 39.02 2wdl s ILE 26 CO 0.02 0.58 0.25 -0.22 -1.23 0.00 0.00 174.94 174.33 2wdl s LEU 27 N -0.46 4.67 -0.98 2.97 2.96 -0.73 -2.22 118.68 124.88 2wdl s LEU 27 Ca 0.06 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 2wdl s LEU 27 Cb -0.11 -2.13 0.33 0.00 0.50 0.00 0.00 46.19 44.77 2wdl s LEU 27 CO 0.01 -0.30 1.83 0.00 -1.32 0.00 0.00 176.35 176.57 2wdl n ALA 28 N 5.11 6.10 -1.08 5.97 0.00 -1.02 -1.78 120.51 133.82 2wdl n ALA 28 Ca -0.12 -4.53 -0.34 0.00 0.00 0.00 0.00 53.44 48.45 2wdl n ALA 28 Cb 0.49 -2.10 0.01 0.00 0.00 0.00 0.00 19.45 17.84 2wdl n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdl n GLY 29 N -0.15 -2.84 3.54 0.00 0.00 -1.26 -4.60 105.19 99.89 2wdl n GLY 29 Ca 0.48 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 2wdl n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdl n PRO 30 N 1.34 0.61 -2.76 1.61 -0.02 -1.26 -4.83 135.00 129.68 2wdl n PRO 30 Ca 0.07 -0.22 -0.43 0.00 -2.02 0.00 0.00 63.50 60.90 2wdl n PRO 30 Cb 0.41 -2.88 -0.03 0.00 -0.02 0.00 0.00 33.50 30.98 2wdl n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdl s PRO 32 N 3.91 3.88 0.30 0.00 0.02 -1.15 -1.12 135.00 140.84 2wdl s PRO 32 Ca 0.40 0.71 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 2wdl s PRO 32 Cb -0.09 -3.81 -0.12 0.00 0.02 0.00 0.00 34.50 30.50 2wdl s PRO 32 CO 0.27 -1.02 1.52 1.55 -0.33 0.00 0.00 177.00 178.98 2wdl n VAL 33 N 6.12 1.26 0.03 3.83 3.14 -1.26 -2.31 118.33 129.15 2wdl n VAL 33 Ca 0.09 -0.32 0.01 0.00 -2.96 0.00 0.00 64.34 61.17 2wdl n VAL 33 Cb 0.48 -1.85 -0.01 0.00 -1.06 0.00 0.00 33.84 31.40 2wdl n VAL 33 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2wdl n VAL 34 N 1.65 0.00 -3.64 1.55 3.14 -0.18 -4.81 118.33 116.05 2wdl n VAL 34 Ca 0.07 -0.21 -0.11 0.00 -2.96 0.00 0.00 64.34 61.14 2wdl n VAL 34 Cb 0.36 0.68 -0.07 0.00 -1.06 0.00 0.00 33.84 33.75 2wdl n VAL 34 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2wdl s GLN 35 N -1.74 0.68 0.11 1.45 0.74 -1.20 -4.76 119.66 114.94 2wdl s GLN 35 Ca -0.00 0.88 0.02 0.00 0.05 0.00 0.00 55.36 56.30 2wdl s GLN 35 Cb 0.01 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.38 2wdl s GLN 35 CO 0.07 -0.09 0.22 0.50 -0.55 0.00 0.00 175.29 175.44 2wdl s ARG 36 N 0.58 3.32 -0.32 1.67 6.06 -1.26 -0.19 118.95 128.81 2wdl s ARG 36 Ca -0.01 -0.58 0.07 0.00 -2.50 0.00 0.00 55.73 52.71 2wdl s ARG 36 Cb -0.05 -2.93 0.46 0.00 0.06 0.00 0.00 34.95 32.49 2wdl s ARG 36 CO -0.05 0.56 1.34 0.54 -2.50 0.00 0.00 175.30 175.19 2wdl n ARG 37 N -0.09 2.75 -1.53 5.12 5.12 0.13 -4.95 116.66 123.21 2wdl n ARG 37 Ca -0.07 -3.71 -0.50 0.00 -1.93 0.00 0.00 57.85 51.65 2wdl n ARG 37 Cb 0.53 -2.05 -0.04 0.00 -1.16 0.00 0.00 32.46 29.73 2wdl n ARG 37 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2wdl n THR 38 N -0.90 1.05 0.00 0.55 -2.24 -1.26 -0.48 114.28 111.00 2wdl n THR 38 Ca 0.39 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2wdl n THR 38 Cb 0.90 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 2wdl n THR 38 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2wdl n PRO 39 N 1.48 0.00 -0.04 -0.78 -0.02 -1.26 -1.77 135.00 132.62 2wdl n PRO 39 Ca 0.16 0.26 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 2wdl n PRO 39 Cb 0.23 -0.60 0.06 0.00 -0.02 0.00 0.00 33.50 33.17 2wdl n PRO 39 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wdl n GLU 40 N -0.65 -0.00 -0.13 -0.52 0.00 -1.26 0.19 120.64 118.27 2wdl n GLU 40 Ca 0.00 0.13 -0.26 0.00 0.00 0.00 0.00 57.16 57.03 2wdl n GLU 40 Cb 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 31.44 31.11 2wdl n GLU 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wdl n LYS 41 N -3.01 0.58 -0.10 3.44 5.02 -0.75 -4.77 118.16 118.55 2wdl n LYS 41 Ca 0.04 0.32 -0.22 0.00 -2.02 0.00 0.00 58.31 56.42 2wdl n LYS 41 Cb 0.14 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.49 2wdl n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wdl n ASP 42 N -4.31 1.99 0.00 4.39 8.00 0.12 -5.04 116.55 121.69 2wdl n ASP 42 Ca -0.46 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.19 2wdl n ASP 42 Cb 0.80 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2wdl n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdl n GLY 43 N 1.82 1.35 0.00 0.44 0.00 0.51 -4.95 105.19 104.35 2wdl n GLY 43 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wdl n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wdl n TYR 44 N -0.87 0.00 -0.32 1.61 4.11 -1.24 -4.79 117.16 115.67 2wdl n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2wdl n TYR 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 2wdl n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2wdl n THR 45 N -0.97 -0.78 -3.60 -3.48 -1.04 0.37 -4.69 114.28 100.08 2wdl n THR 45 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2wdl n THR 45 Cb 0.00 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 67.45 2wdl n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdl s ALA 46 N 0.00 -2.06 -0.23 2.41 0.00 -1.26 0.02 121.76 120.65 2wdl s ALA 46 Ca 0.00 1.65 0.02 0.00 0.00 0.00 0.00 51.96 53.63 2wdl s ALA 46 Cb 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.65 2wdl s ALA 46 CO 0.00 -0.47 -0.14 0.08 0.00 0.00 0.00 175.76 175.22 2wdl s VAL 47 N -1.93 2.20 -1.14 0.00 1.01 -1.24 0.21 120.40 119.52 2wdl s VAL 47 Ca 0.08 -1.30 -0.20 0.00 0.00 0.00 0.00 61.98 60.55 2wdl s VAL 47 Cb -0.01 -2.13 0.07 0.00 0.00 0.00 0.00 36.38 34.31 2wdl s VAL 47 CO -0.05 0.22 1.55 -1.58 0.00 0.00 0.00 175.10 175.25 2wdl s GLN 48 N 1.20 3.78 0.26 2.72 0.74 0.73 -2.07 119.66 127.02 2wdl s GLN 48 Ca -0.02 -1.58 -0.04 0.00 0.05 0.00 0.00 55.36 53.76 2wdl s GLN 48 Cb -0.17 -5.40 0.07 0.00 1.10 0.00 0.00 33.01 28.61 2wdl s GLN 48 CO -0.08 -2.19 0.17 1.28 -0.55 0.00 0.00 175.29 173.92 2wdl n LEU 49 N 8.43 0.00 -3.73 3.68 4.32 -1.11 -1.01 117.00 127.59 2wdl n LEU 49 Ca 0.39 -0.18 -0.13 0.00 -0.02 0.00 0.00 56.01 56.08 2wdl n LEU 49 Cb 0.48 -0.19 -0.08 0.00 -1.62 0.00 0.00 43.42 42.02 2wdl n LEU 49 CO 0.70 -1.58 0.06 -0.83 -1.22 0.00 0.00 177.39 174.52 2wdl s GLY 50 N -2.41 -0.18 -0.01 -0.72 0.00 -0.98 -3.83 107.32 99.20 2wdl s GLY 50 Ca 0.13 0.25 -0.16 0.00 0.00 0.00 0.00 44.72 44.94 2wdl s GLY 50 CO 0.10 0.03 0.33 -0.12 0.00 0.00 0.00 173.10 173.44 2wdl s PHE 51 N -1.94 -0.20 -0.18 1.90 2.19 -0.85 -2.93 117.98 115.96 2wdl s PHE 51 Ca -0.09 0.27 -0.01 0.00 0.33 0.00 0.00 56.93 57.43 2wdl s PHE 51 Cb -0.03 0.11 0.00 0.00 -1.31 0.00 0.00 43.02 41.80 2wdl s PHE 51 CO 0.01 -0.42 0.02 -0.11 1.83 0.00 0.00 175.22 176.55 2wdl n LEU 52 N 1.14 -5.48 0.00 6.12 7.94 -1.26 -3.24 117.00 122.22 2wdl n LEU 52 Ca -0.21 0.80 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 2wdl n LEU 52 Cb 0.57 -2.36 0.00 0.00 0.53 0.00 0.00 43.42 42.15 2wdl n LEU 52 CO 0.22 -1.83 0.00 -2.65 -1.11 0.00 0.00 177.39 172.02 2wdl n PRO 53 N 0.36 3.12 -0.17 1.96 -0.02 -1.26 0.10 135.00 139.08 2wdl n PRO 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wdl n PRO 53 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 2wdl n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdl n GLN 54 N 0.00 0.00 -3.47 -0.52 10.64 -1.26 -3.17 117.38 119.60 2wdl n GLN 54 Ca 0.00 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 2wdl n GLN 54 Cb 0.00 -0.08 -0.05 0.00 -0.86 0.00 0.00 30.24 29.26 2wdl n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2wdl s ASN 55 N -0.36 -0.47 -0.11 2.61 0.02 -1.26 -4.27 114.94 111.09 2wdl s ASN 55 Ca 0.00 0.68 -0.01 0.00 -1.02 0.00 0.00 52.86 52.51 2wdl s ASN 55 Cb 0.00 1.43 -0.01 0.00 0.02 0.00 0.00 41.25 42.69 2wdl s ASN 55 CO 0.00 -0.10 1.15 -2.65 0.02 0.00 0.00 177.10 175.52 2wdl n PRO 56 N 4.44 0.26 -2.36 -0.60 -0.02 -1.26 -4.36 135.00 131.11 2wdl n PRO 56 Ca -0.12 -0.63 -0.11 0.00 -2.02 0.00 0.00 63.50 60.62 2wdl n PRO 56 Cb 0.54 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 2wdl n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wdl n LYS 57 N 4.97 -1.59 0.00 -0.52 5.02 -1.26 -4.63 118.16 120.15 2wdl n LYS 57 Ca 0.07 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2wdl n LYS 57 Cb 0.03 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.36 2wdl n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wdl n ARG 58 N -1.93 0.60 0.28 1.97 1.74 -1.26 -3.86 116.66 114.19 2wdl n ARG 58 Ca 0.03 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.29 2wdl n ARG 58 Cb 0.28 -1.21 0.74 0.00 -1.02 0.00 0.00 32.46 31.25 2wdl n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2wdl h VAL 59 N 0.38 0.00 0.00 1.55 3.04 -1.92 -3.48 116.25 115.82 2wdl h VAL 59 Ca 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2wdl h VAL 59 Cb 0.58 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2wdl h VAL 59 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.57 176.10 2wdl n ASN 60 N -3.03 0.00 -0.10 3.17 0.23 -1.25 -3.47 115.26 110.81 2wdl n ASN 60 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.03 2wdl n ASN 60 Cb 0.27 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.95 2wdl n ASN 60 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2wdl h ARG 61 N 0.00 -0.00 -4.32 -3.83 2.43 -1.98 -2.93 114.38 103.74 2wdl h ARG 61 Ca 0.00 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.50 2wdl h ARG 61 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wdl h ARG 61 CO 0.00 -0.00 2.69 -0.35 -1.51 0.00 0.00 179.97 180.80 2wdl n PRO 62 N -3.54 2.27 0.03 0.20 -0.04 -1.24 -4.62 135.00 128.05 2wdl n PRO 62 Ca 0.00 -2.31 -0.12 0.00 -0.04 0.00 0.00 63.50 61.03 2wdl n PRO 62 Cb 0.06 -3.16 -0.09 0.00 -0.04 0.00 0.00 33.50 30.28 2wdl n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wdl h LEU 63 N 11.92 -0.11 -3.26 1.53 6.46 -1.54 -3.48 115.31 126.83 2wdl h LEU 63 Ca 0.49 -0.44 -0.39 0.00 -0.12 0.00 0.00 57.88 57.42 2wdl h LEU 63 Cb 0.67 0.03 0.05 0.00 -0.73 0.00 0.00 40.66 40.68 2wdl h LEU 63 CO 1.88 0.43 -0.84 1.17 -0.62 0.00 0.00 178.44 180.46 2wdl n LYS 64 N -4.89 -1.21 -1.06 1.25 4.81 -1.26 -4.81 118.16 110.99 2wdl n LYS 64 Ca -0.08 0.64 -0.08 0.00 -0.87 0.00 0.00 58.31 57.92 2wdl n LYS 64 Cb 0.27 -3.86 0.30 0.00 0.02 0.00 0.00 35.03 31.76 2wdl n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wdl n GLY 65 N -1.72 3.71 0.04 3.14 0.00 -1.26 -4.51 105.19 104.59 2wdl n GLY 65 Ca -0.13 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2wdl n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wdl n HIS 66 N -0.22 0.00 -3.79 1.61 -0.00 -1.26 -4.53 115.22 107.03 2wdl n HIS 66 Ca 0.43 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 58.03 2wdl n HIS 66 Cb 1.43 -0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 31.32 2wdl n HIS 66 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wdl s PHE 67 N -1.93 -0.23 0.00 1.57 5.99 -1.26 -5.09 117.98 117.03 2wdl s PHE 67 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 56.93 57.44 2wdl s PHE 67 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 43.02 43.10 2wdl s PHE 67 CO 0.00 -0.22 0.71 0.00 -0.00 0.00 0.00 175.22 175.71 2wdl n ALA 68 N 2.33 -0.01 0.00 11.12 0.00 -1.26 -1.04 120.51 131.65 2wdl n ALA 68 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2wdl n ALA 68 Cb 0.57 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.37 2wdl n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdl n LYS 69 N -1.82 0.00 0.07 0.00 5.02 -1.26 -2.87 118.16 117.29 2wdl n LYS 69 Ca 0.00 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.48 2wdl n LYS 69 Cb 0.00 -1.46 0.52 0.00 -0.02 0.00 0.00 35.03 34.07 2wdl n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdl h ALA 70 N 1.16 2.27 0.00 7.82 0.00 -1.41 -3.42 119.26 125.68 2wdl h ALA 70 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wdl h ALA 70 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wdl h ALA 70 CO 0.00 -1.06 0.00 0.41 0.00 0.00 0.00 179.25 178.60 2wdl n GLY 71 N -1.53 0.00 2.50 0.00 0.00 -1.14 -2.17 105.19 102.85 2wdl n GLY 71 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2wdl n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdl n VAL 72 N 0.00-12.45 -0.71 1.61 0.31 -1.26 -4.86 118.33 100.97 2wdl n VAL 72 Ca 0.00 2.81 -0.32 0.00 -0.01 0.00 0.00 64.34 66.82 2wdl n VAL 72 Cb 0.00 -6.08 0.16 0.00 -0.91 0.00 0.00 33.84 27.01 2wdl n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wdl n GLU 73 N 1.83 -1.14 -3.89 5.55 4.07 -0.92 -4.57 120.64 121.56 2wdl n GLU 73 Ca -0.21 -0.30 -0.37 0.00 -0.06 0.00 0.00 57.16 56.22 2wdl n GLU 73 Cb 0.33 -1.80 -0.07 0.00 -0.06 0.00 0.00 31.44 29.84 2wdl n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wdl s PRO 74 N -3.60 3.52 0.00 5.31 0.04 -1.26 -4.32 135.00 134.69 2wdl s PRO 74 Ca 0.57 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2wdl s PRO 74 Cb -0.16 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2wdl s PRO 74 CO 0.66 0.70 0.91 0.28 0.04 0.00 0.00 177.00 179.60 2wdl n VAL 75 N 2.22 0.00 -0.07 -0.36 0.31 0.11 -2.36 118.33 118.19 2wdl n VAL 75 Ca -0.19 1.41 -0.01 0.00 -0.01 0.00 0.00 64.34 65.54 2wdl n VAL 75 Cb 0.54 -2.19 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 2wdl n VAL 75 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdl n ARG 76 N -2.16 0.15 0.00 5.55 3.00 -1.20 -4.84 116.66 117.17 2wdl n ARG 76 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 2wdl n ARG 76 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 30.80 2wdl n ARG 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2wdl n ILE 77 N 3.43 0.00 -4.38 5.15 2.08 -1.00 -4.17 119.36 120.48 2wdl n ILE 77 Ca 0.03 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.16 2wdl n ILE 77 Cb 0.05 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 38.79 2wdl n ILE 77 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2wdl s LEU 78 N 0.00 2.03 -0.01 1.39 2.34 -1.26 -2.00 118.68 121.17 2wdl s LEU 78 Ca 0.00 -0.20 0.02 0.00 0.06 0.00 0.00 54.13 54.01 2wdl s LEU 78 Cb 0.00 -0.48 -0.00 0.00 -0.56 0.00 0.00 46.19 45.14 2wdl s LEU 78 CO 0.00 0.10 -0.06 -0.13 -1.06 0.00 0.00 176.35 175.21 2wdl s ARG 79 N -0.31 0.47 0.18 1.48 3.00 -1.25 -4.98 118.95 117.54 2wdl s ARG 79 Ca 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 55.73 55.53 2wdl s ARG 79 Cb -0.04 -0.46 0.05 0.00 0.00 0.00 0.00 34.95 34.50 2wdl s ARG 79 CO -0.00 0.12 0.16 0.39 0.00 0.00 0.00 175.30 175.97 2wdl n GLU 80 N 2.97 -1.37 0.00 3.54 1.02 -1.26 -2.73 120.64 122.81 2wdl n GLU 80 Ca -0.13 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 2wdl n GLU 80 Cb 0.58 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 2wdl n GLU 80 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wdl n ILE 81 N -2.87 0.00 -0.62 -3.67 2.08 -0.88 -4.76 119.36 108.64 2wdl n ILE 81 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 2wdl n ILE 81 Cb 0.09 0.04 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 2wdl n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2wdl n ARG 82 N -0.27 -0.25 -4.32 0.38 5.12 -1.26 -4.72 116.66 111.33 2wdl n ARG 82 Ca 0.00 0.66 -0.38 0.00 -1.93 0.00 0.00 57.85 56.19 2wdl n ARG 82 Cb 0.01 -0.24 -0.04 0.00 -1.16 0.00 0.00 32.46 31.03 2wdl n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2wdl n ASP 83 N 0.09 -2.92 -3.69 0.55 8.00 0.10 -4.48 116.55 114.20 2wdl n ASP 83 Ca 0.00 -1.08 -0.28 0.00 0.71 0.00 0.00 54.79 54.14 2wdl n ASP 83 Cb 0.00 -2.44 -0.16 0.00 -0.02 0.00 0.00 41.12 38.51 2wdl n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wdl s PHE 84 N -3.27 1.02 -0.33 1.24 2.19 -1.26 -2.44 117.98 115.12 2wdl s PHE 84 Ca 0.77 -1.07 0.02 0.00 0.33 0.00 0.00 56.93 56.98 2wdl s PHE 84 Cb -0.43 -1.17 0.10 0.00 -1.31 0.00 0.00 43.02 40.21 2wdl s PHE 84 CO 0.96 -0.72 0.09 1.21 1.83 0.00 0.00 175.22 178.58 2wdl s ASN 85 N 1.86 4.36 0.12 6.13 3.84 -1.26 -3.61 114.94 126.38 2wdl s ASN 85 Ca 0.04 -1.95 0.00 0.00 0.21 0.00 0.00 52.86 51.16 2wdl s ASN 85 Cb -0.17 -1.24 0.00 0.00 -0.55 0.00 0.00 41.25 39.29 2wdl s ASN 85 CO -0.19 -0.39 0.00 -0.81 -2.79 0.00 0.00 177.10 172.92 2wdl n PRO 86 N 4.48 1.67 -1.10 0.43 -0.04 -1.26 -4.85 135.00 134.33 2wdl n PRO 86 Ca 0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 2wdl n PRO 86 Cb 0.41 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 2wdl n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wdl n GLU 87 N -0.28 2.32 -0.52 0.54 0.28 -1.26 -4.83 120.64 116.90 2wdl n GLU 87 Ca 0.00 -1.86 -0.01 0.00 -0.16 0.00 0.00 57.16 55.12 2wdl n GLU 87 Cb 0.00 -2.77 -0.01 0.00 1.43 0.00 0.00 31.44 30.09 2wdl n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wdl n GLY 88 N 3.99 -0.03 2.47 -1.84 0.00 -1.26 -4.46 105.19 104.06 2wdl n GLY 88 Ca 0.53 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 2wdl n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wdl n ASP 89 N 2.25 -1.17 0.00 1.61 2.03 -1.26 -4.98 116.55 115.03 2wdl n ASP 89 Ca 0.04 -1.80 0.00 0.00 0.52 0.00 0.00 54.79 53.55 2wdl n ASP 89 Cb 0.22 0.79 0.00 0.00 -0.72 0.00 0.00 41.12 41.42 2wdl n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2wdl n THR 90 N -0.59 0.00 -2.94 5.18 -1.04 -1.26 -4.92 114.28 108.71 2wdl n THR 90 Ca -0.16 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.45 2wdl n THR 90 Cb 0.70 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.16 2wdl n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wdl s VAL 91 N 0.00 4.48 0.00 12.58 1.01 -0.28 -4.93 120.40 133.26 2wdl s VAL 91 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2wdl s VAL 91 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2wdl s VAL 91 CO 0.00 0.45 0.00 0.35 0.00 0.00 0.00 175.10 175.90 2wdl n THR 92 N 2.09 0.00 -0.01 3.92 -2.24 -1.26 -1.87 114.28 114.91 2wdl n THR 92 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2wdl n THR 92 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2wdl n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2wdl n VAL 93 N 0.00 0.00 0.67 2.28 0.31 -1.26 -4.76 118.33 115.58 2wdl n VAL 93 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2wdl n VAL 93 Cb 0.00 0.17 0.32 0.00 -0.91 0.00 0.00 33.84 33.42 2wdl n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wdl n GLU 94 N 0.00 0.33 -0.24 5.55 1.02 -1.26 -1.47 120.64 124.56 2wdl n GLU 94 Ca 0.00 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 2wdl n GLU 94 Cb 0.00 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 29.96 2wdl n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2wdl h ILE 95 N 0.00 1.26 -3.46 -3.67 5.03 -1.98 -3.40 117.51 111.29 2wdl h ILE 95 Ca 0.00 -0.99 -0.61 0.00 -0.12 0.00 0.00 64.86 63.14 2wdl h ILE 95 Cb 0.01 0.59 -0.12 0.00 -3.03 0.00 0.00 36.82 34.27 2wdl h ILE 95 CO 0.00 0.38 -0.38 -0.36 -0.68 0.00 0.00 178.15 177.10 2wdl s PHE 96 N -5.27 3.37 -0.04 1.37 0.08 -0.54 -5.08 117.98 111.87 2wdl s PHE 96 Ca -0.12 0.42 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 2wdl s PHE 96 Cb 0.14 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 2wdl s PHE 96 CO 0.85 0.11 0.11 0.15 -0.10 0.00 0.00 175.22 176.33 2wdl s LYS 97 N 0.93 3.22 0.62 0.44 1.02 -1.26 -4.88 119.74 119.83 2wdl s LYS 97 Ca 0.12 -0.37 -0.18 0.00 0.02 0.00 0.00 55.97 55.57 2wdl s LYS 97 Cb -0.13 -2.98 -0.07 0.00 -0.52 0.00 0.00 37.83 34.13 2wdl s LYS 97 CO 0.04 0.69 0.59 -2.30 -0.92 0.00 0.00 175.35 173.45 2wdl n PRO 98 N 1.39 0.50 -0.85 -1.68 -0.02 -1.26 -2.47 135.00 130.61 2wdl n PRO 98 Ca -0.14 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2wdl n PRO 98 Cb 0.53 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2wdl n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdl n GLY 99 N 1.68 0.83 3.86 -1.23 0.00 0.09 -5.00 105.19 105.43 2wdl n GLY 99 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2wdl n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdl s GLU 100 N -0.15 3.78 -0.23 1.61 2.02 -1.03 -4.77 118.70 119.93 2wdl s GLU 100 Ca 0.00 0.21 -0.20 0.00 0.02 0.00 0.00 54.97 55.00 2wdl s GLU 100 Cb 0.00 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.22 2wdl s GLU 100 CO 0.00 0.55 0.59 1.03 0.02 0.00 0.00 175.26 177.45 2wdl s ARG 101 N -1.92 4.15 0.50 1.61 1.81 -1.26 -1.41 118.95 122.42 2wdl s ARG 101 Ca 0.34 0.51 0.03 0.00 -1.72 0.00 0.00 55.73 54.88 2wdl s ARG 101 Cb -0.14 -3.61 -0.02 0.00 -0.45 0.00 0.00 34.95 30.73 2wdl s ARG 101 CO 0.18 -0.31 0.07 0.14 -0.68 0.00 0.00 175.30 174.70 2wdl s VAL 102 N 2.16 1.39 -0.04 3.52 -7.23 -0.91 0.30 120.40 119.58 2wdl s VAL 102 Ca 0.26 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 2wdl s VAL 102 Cb -0.16 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2wdl s VAL 102 CO 0.09 0.00 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.95 2wdl s ASP 103 N -3.92 1.66 -0.12 4.85 1.01 0.13 -0.01 116.67 120.26 2wdl s ASP 103 Ca 0.15 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 53.14 2wdl s ASP 103 Cb 0.02 -0.49 -0.01 0.00 1.01 0.00 0.00 42.92 43.44 2wdl s ASP 103 CO 0.08 0.10 -0.14 -0.69 0.21 0.00 0.00 175.17 174.73 2wdl s VAL 104 N 0.20 2.96 -0.08 -1.27 1.01 -0.90 -1.28 120.40 121.04 2wdl s VAL 104 Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2wdl s VAL 104 Cb -0.11 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2wdl s VAL 104 CO 0.02 0.53 -0.07 -0.89 0.00 0.00 0.00 175.10 174.69 2wdl s THR 105 N 0.32 3.68 0.00 3.92 2.01 -0.36 -1.20 115.64 124.01 2wdl s THR 105 Ca -0.11 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.41 2wdl s THR 105 Cb -0.16 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2wdl s THR 105 CO 0.06 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 2wdl n GLY 106 N 2.46 2.95 3.14 4.40 0.00 0.96 -2.03 105.19 117.06 2wdl n GLY 106 Ca -0.18 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 2wdl n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdl s THR 107 N -2.65 2.93 0.24 2.61 2.01 -1.26 -0.79 115.64 118.72 2wdl s THR 107 Ca 0.00 -1.66 -0.29 0.00 0.31 0.00 0.00 61.69 60.05 2wdl s THR 107 Cb 0.00 -2.81 -0.15 0.00 0.01 0.00 0.00 72.50 69.54 2wdl s THR 107 CO 0.00 -0.29 0.84 -0.24 -0.69 0.00 0.00 174.62 174.23 2wdl n SER 108 N 4.56 0.29 -4.74 3.53 2.88 0.12 -2.63 113.62 117.63 2wdl n SER 108 Ca -0.09 1.16 -0.40 0.00 -1.33 0.00 0.00 58.87 58.21 2wdl n SER 108 Cb 0.43 -1.14 0.02 0.00 -0.75 0.00 0.00 64.21 62.76 2wdl n SER 108 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2wdl n LYS 109 N 0.93 2.14 -2.65 -1.46 5.02 -1.26 -1.16 118.16 119.72 2wdl n LYS 109 Ca 0.13 0.76 -0.43 0.00 -2.02 0.00 0.00 58.31 56.76 2wdl n LYS 109 Cb 0.28 -2.54 -0.03 0.00 -0.02 0.00 0.00 35.03 32.73 2wdl n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wdl s GLY 110 N -0.48 1.33 0.00 0.72 0.00 -1.26 -0.91 107.32 106.72 2wdl s GLY 110 Ca 0.61 -0.57 0.17 0.00 0.00 0.00 0.00 44.72 44.93 2wdl s GLY 110 CO 0.58 2.33 1.42 0.54 0.00 0.00 0.00 173.10 177.97 2wdl n ARG 111 N 7.71 1.85 0.00 2.90 1.74 -0.95 -4.76 116.66 125.15 2wdl n ARG 111 Ca 0.10 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 2wdl n ARG 111 Cb 0.49 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 2wdl n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdl n GLY 112 N 1.14 0.39 3.18 -0.13 0.00 -1.23 -3.92 105.19 104.62 2wdl n GLY 112 Ca 0.15 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 2wdl n GLY 112 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wdl n PHE 113 N 0.00 2.49 -2.27 1.61 -0.00 -1.26 -1.11 117.46 116.92 2wdl n PHE 113 Ca 0.00 -1.98 -0.42 0.00 -0.00 0.00 0.00 57.45 55.05 2wdl n PHE 113 Cb 0.00 -2.09 -0.03 0.00 -0.00 0.00 0.00 39.48 37.36 2wdl n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdl s ALA 114 N 5.94 3.52 1.29 3.13 0.00 -0.64 -4.77 121.76 130.24 2wdl s ALA 114 Ca 0.58 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 53.34 2wdl s ALA 114 Cb 0.11 -3.50 0.31 0.00 0.00 0.00 0.00 23.12 20.03 2wdl s ALA 114 CO 0.09 -0.56 1.00 0.41 0.00 0.00 0.00 175.76 176.70 2wdl n GLY 115 N 3.40 -3.02 3.86 0.00 0.00 -1.26 -1.71 105.19 106.46 2wdl n GLY 115 Ca 0.11 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 2wdl n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdl s VAL 116 N -2.71 3.13 0.00 1.61 0.11 -1.26 -2.26 120.40 119.02 2wdl s VAL 116 Ca 0.67 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 60.09 2wdl s VAL 116 Cb -0.08 -3.29 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 2wdl s VAL 116 CO 0.52 -0.48 0.00 0.80 -3.33 0.00 0.00 175.10 172.62 2wdl n MET 117 N -3.19 0.00 0.03 1.54 0.00 -1.26 -4.52 117.12 109.72 2wdl n MET 117 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.77 2wdl n MET 117 Cb 0.57 -2.63 0.00 0.00 0.00 0.00 0.00 33.22 31.16 2wdl n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2wdl n LYS 118 N -2.74 0.00 0.07 2.12 0.00 -1.24 -4.01 118.16 112.37 2wdl n LYS 118 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 2wdl n LYS 118 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.15 2wdl n LYS 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2wdl h ARG 119 N 0.00 0.31 0.00 1.64 1.12 -1.68 -3.34 114.38 112.42 2wdl h ARG 119 Ca 0.00 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 2wdl h ARG 119 Cb 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 29.98 2wdl h ARG 119 CO 0.00 0.79 -0.13 0.91 -3.11 0.00 0.00 179.97 178.42 2wdl n TRP 120 N -3.91 0.00 -4.16 2.20 7.02 -1.26 -5.02 117.44 112.31 2wdl n TRP 120 Ca -0.02 -0.24 -0.33 0.00 -1.02 0.00 0.00 57.50 55.89 2wdl n TRP 120 Cb 0.59 -0.04 -0.05 0.00 -2.42 0.00 0.00 31.31 29.39 2wdl n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2wdl n ASN 121 N -0.30 -0.59 -4.81 -0.99 4.13 -1.26 -4.65 115.26 106.78 2wdl n ASN 121 Ca 0.02 -1.21 -0.29 0.00 1.68 0.00 0.00 54.58 54.78 2wdl n ASN 121 Cb 0.52 -2.03 0.10 0.00 -1.54 0.00 0.00 39.78 36.84 2wdl n ASN 121 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2wdl s PHE 122 N -4.09 2.76 0.14 3.10 0.40 -1.26 -4.87 117.98 114.17 2wdl s PHE 122 Ca 0.12 0.98 0.05 0.00 -0.60 0.00 0.00 56.93 57.49 2wdl s PHE 122 Cb -0.06 -3.26 -0.12 0.00 0.51 0.00 0.00 43.02 40.09 2wdl s PHE 122 CO 0.96 -1.95 1.32 0.00 0.70 0.00 0.00 175.22 176.25 2wdl h ALA 123 N -1.21 0.42 -0.40 5.36 0.00 -1.93 -3.43 119.26 118.08 2wdl h ALA 123 Ca -0.48 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.59 2wdl h ALA 123 Cb 1.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wdl h ALA 123 CO 0.61 1.11 0.00 0.41 0.00 0.00 0.00 179.25 181.38 2wdl n GLY 124 N 1.16 0.72 1.40 0.00 0.00 -1.26 -4.91 105.19 102.30 2wdl n GLY 124 Ca -0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 2wdl n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 125 N 0.00 3.73 3.77 -0.02 0.00 -0.66 -4.84 105.19 107.17 2wdl n GLY 125 Ca 0.00 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 2wdl n GLY 125 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wdl s PRO 126 N -2.64 3.69 0.00 1.61 0.02 -1.26 -4.81 135.00 131.60 2wdl s PRO 126 Ca 0.09 1.71 0.23 0.00 0.02 0.00 0.00 61.00 63.05 2wdl s PRO 126 Cb 0.00 -2.31 0.55 0.00 0.02 0.00 0.00 34.50 32.76 2wdl s PRO 126 CO 0.07 -0.59 1.46 -0.25 -0.33 0.00 0.00 177.00 177.35 2wdl n ASP 127 N -0.67 2.65 -0.73 2.53 9.92 -1.26 -4.50 116.55 124.50 2wdl n ASP 127 Ca 0.08 -1.87 0.00 0.00 -0.53 0.00 0.00 54.79 52.48 2wdl n ASP 127 Cb 0.49 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 2wdl n ASP 127 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2wdl n SER 128 N 0.98 0.00 0.00 -2.24 3.41 -1.26 -4.98 113.62 109.54 2wdl n SER 128 Ca 0.17 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 2wdl n SER 128 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2wdl n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wdl n HIS 129 N 0.00 0.00 -3.65 7.33 8.25 -1.26 -4.86 115.22 121.03 2wdl n HIS 129 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2wdl n HIS 129 Cb 0.00 -0.67 -0.07 0.00 1.12 0.00 0.00 29.99 30.37 2wdl n HIS 129 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wdl s GLY 130 N -1.65 0.43 0.00 -1.41 0.00 -1.26 -5.08 107.32 98.35 2wdl s GLY 130 Ca 0.00 3.62 0.00 0.00 0.00 0.00 0.00 44.72 48.34 2wdl s GLY 130 CO 0.00 2.15 0.00 0.00 0.00 0.00 0.00 173.10 175.25 2wdl n ALA 131 N 1.96 -0.81 0.00 3.20 0.00 -1.26 -4.67 120.51 118.93 2wdl n ALA 131 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wdl n ALA 131 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2wdl n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wdl n HIS 132 N -0.71 0.00 -1.16 0.00 -0.00 -1.26 -3.46 115.22 108.63 2wdl n HIS 132 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 2wdl n HIS 132 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.09 2wdl n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2wdl n LYS 133 N -0.19 2.38 0.00 1.57 5.02 -1.26 -4.01 118.16 121.66 2wdl n LYS 133 Ca 0.00 -2.85 0.00 0.00 -2.02 0.00 0.00 58.31 53.44 2wdl n LYS 133 Cb 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 2wdl n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2wdl n ILE 134 N -0.77 0.00 -0.51 -0.18 -0.00 -1.23 -4.94 119.36 111.74 2wdl n ILE 134 Ca 0.55 0.00 0.40 0.00 -0.00 0.00 0.00 62.75 63.70 2wdl n ILE 134 Cb 0.95 0.63 0.64 0.00 -0.00 0.00 0.00 39.64 41.86 2wdl n ILE 134 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2wdl n HIS 135 N 0.00 0.26 -2.40 4.28 8.25 -1.26 -0.70 115.22 123.66 2wdl n HIS 135 Ca 0.00 0.26 0.01 0.00 -0.26 0.00 0.00 57.72 57.74 2wdl n HIS 135 Cb 0.49 -0.68 0.06 0.00 1.12 0.00 0.00 29.99 30.97 2wdl n HIS 135 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wdl n ARG 136 N -3.95 0.96 -2.91 -0.41 1.74 -1.26 -1.66 116.66 109.17 2wdl n ARG 136 Ca 0.36 -2.75 -0.26 0.00 -0.77 0.00 0.00 57.85 54.43 2wdl n ARG 136 Cb 1.53 -0.83 -0.00 0.00 -1.02 0.00 0.00 32.46 32.14 2wdl n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2wdl s HIS 137 N -1.73 3.53 -1.47 -1.55 3.76 0.12 -4.82 115.29 113.14 2wdl s HIS 137 Ca 0.34 0.63 0.12 0.00 -0.15 0.00 0.00 55.06 56.01 2wdl s HIS 137 Cb 0.37 -2.16 0.61 0.00 1.11 0.00 0.00 32.58 32.51 2wdl s HIS 137 CO -0.11 -0.14 1.28 -0.35 -0.85 0.00 0.00 174.74 174.57 2wdl n PRO 138 N -2.09 0.18 0.00 8.40 -0.04 -1.26 -4.37 135.00 135.83 2wdl n PRO 138 Ca -0.01 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2wdl n PRO 138 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2wdl n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdl n GLY 139 N -0.28 0.73 3.98 0.55 0.00 -1.26 -4.80 105.19 104.11 2wdl n GLY 139 Ca 0.06 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 2wdl n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdl s SER 140 N -4.00 5.04 0.00 1.61 0.15 -1.26 -5.05 113.70 110.18 2wdl s SER 140 Ca 0.00 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.55 2wdl s SER 140 Cb 0.00 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 2wdl s SER 140 CO 0.00 -1.33 0.00 2.30 1.20 0.00 0.00 173.24 175.41 2wdl n ILE 141 N -2.47 0.00 -2.70 6.45 -5.35 -1.26 -5.14 119.36 108.89 2wdl n ILE 141 Ca 0.10 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 2wdl n ILE 141 Cb 0.60 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 2wdl n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdl n GLY 142 N 0.16 5.22 0.00 3.28 0.00 -1.26 -4.76 105.19 107.84 2wdl n GLY 142 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2wdl n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdl n ASN 143 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.11 115.26 115.53 2wdl n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2wdl n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2wdl n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wdl n ARG 144 N 0.00 0.00 0.19 3.52 5.12 -1.26 -4.98 116.66 119.25 2wdl n ARG 144 Ca 0.00 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.97 2wdl n ARG 144 Cb 0.00 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 31.80 2wdl n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2wdl h LYS 145 N 0.00 0.10 -4.15 5.56 1.79 -2.02 -2.42 116.57 115.43 2wdl h LYS 145 Ca 0.00 -0.02 -0.48 0.00 -2.18 0.00 0.00 60.65 57.97 2wdl h LYS 145 Cb 0.00 -0.02 -0.36 0.00 -1.58 0.00 0.00 32.23 30.27 2wdl h LYS 145 CO 0.00 0.20 -0.79 0.95 -1.08 0.00 0.00 179.45 178.72 2wdl s THR 146 N -4.84 0.83 0.33 -0.16 -4.23 -1.26 -3.27 115.64 103.04 2wdl s THR 146 Ca -0.05 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.30 2wdl s THR 146 Cb 0.16 -0.85 0.11 0.00 1.34 0.00 0.00 72.50 73.26 2wdl s THR 146 CO 0.70 0.32 1.81 1.55 -0.54 0.00 0.00 174.62 178.46 2wdl h PRO 147 N 7.78 0.39 -2.72 3.99 0.13 -1.96 -3.45 132.00 136.16 2wdl h PRO 147 Ca -0.30 -0.12 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 2wdl h PRO 147 Cb 1.14 -0.04 0.05 0.00 0.13 0.00 0.00 31.00 32.28 2wdl h PRO 147 CO 0.40 0.56 -0.21 0.41 -0.23 0.00 0.00 178.00 178.93 2wdl n GLY 148 N -0.61 0.38 0.22 1.56 0.00 -0.91 -5.01 105.19 100.82 2wdl n GLY 148 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2wdl n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdl n ARG 149 N -1.87 0.01 -4.85 1.61 1.85 -1.26 -5.05 116.66 107.10 2wdl n ARG 149 Ca -0.04 -0.05 -0.25 0.00 -1.00 0.00 0.00 57.85 56.51 2wdl n ARG 149 Cb 0.53 0.08 -0.16 0.00 -1.05 0.00 0.00 32.46 31.86 2wdl n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wdl s VAL 150 N -2.22 1.41 0.15 8.89 1.01 -1.26 -4.64 120.40 123.75 2wdl s VAL 150 Ca 0.02 -0.75 -0.34 0.00 0.00 0.00 0.00 61.98 60.91 2wdl s VAL 150 Cb -0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 36.38 35.03 2wdl s VAL 150 CO 0.00 0.40 1.15 -1.22 0.00 0.00 0.00 175.10 175.44 2wdl n TYR 151 N 2.79 1.21 0.17 5.22 4.01 -1.26 -4.83 117.16 124.48 2wdl n TYR 151 Ca -0.16 0.71 0.18 0.00 -0.16 0.00 0.00 57.90 58.48 2wdl n TYR 151 Cb 0.54 -2.26 0.80 0.00 -0.31 0.00 0.00 39.34 38.11 2wdl n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2wdl h LYS 152 N 3.40 0.00 -0.28 -0.72 1.63 -2.02 -1.86 116.57 116.71 2wdl h LYS 152 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2wdl h LYS 152 Cb 1.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2wdl h LYS 152 CO 0.70 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 177.11 2wdl n GLY 153 N -1.42 3.39 3.24 5.01 0.00 -1.26 -5.05 105.19 109.11 2wdl n GLY 153 Ca 0.04 -0.67 -0.59 0.00 0.00 0.00 0.00 46.02 44.80 2wdl n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdl n LYS 154 N -0.03 0.00 -2.06 1.61 3.00 -0.70 -4.84 118.16 115.13 2wdl n LYS 154 Ca 0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.04 2wdl n LYS 154 Cb 0.63 -1.32 -0.03 0.00 0.00 0.00 0.00 35.03 34.32 2wdl n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2wdl s LYS 155 N 2.90 3.81 0.36 1.64 1.02 -1.26 -4.97 119.74 123.23 2wdl s LYS 155 Ca 0.93 1.76 0.07 0.00 0.02 0.00 0.00 55.97 58.76 2wdl s LYS 155 Cb -1.32 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 31.91 2wdl s LYS 155 CO 0.70 -1.29 0.26 -1.33 -0.92 0.00 0.00 175.35 172.78 2wdl n MET 156 N 7.67 0.45 -1.55 1.68 2.81 -1.26 -5.10 117.12 121.81 2wdl n MET 156 Ca 0.19 -3.45 -0.35 0.00 -1.81 0.00 0.00 57.70 52.28 2wdl n MET 156 Cb 0.45 2.62 0.08 0.00 -0.71 0.00 0.00 33.22 35.66 2wdl n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wdl s ALA 157 N -3.34 2.21 0.00 3.04 0.00 -1.26 -4.70 121.76 117.71 2wdl s ALA 157 Ca 0.37 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2wdl s ALA 157 Cb 0.02 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2wdl s ALA 157 CO 0.26 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.67 2wdl n GLY 158 N 0.55 -0.36 3.63 0.00 0.00 -0.69 -4.93 105.19 103.38 2wdl n GLY 158 Ca 0.14 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 2wdl n GLY 158 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wdl s HIS 159 N -2.00 1.29 -0.09 1.61 5.65 -1.26 -1.61 115.29 118.88 2wdl s HIS 159 Ca 0.00 0.02 -0.01 0.00 0.25 0.00 0.00 55.06 55.33 2wdl s HIS 159 Cb 0.00 -4.09 0.03 0.00 -1.18 0.00 0.00 32.58 27.33 2wdl s HIS 159 CO 0.00 -4.77 -0.04 -0.47 -0.65 0.00 0.00 174.74 168.81 2wdl s TYR 160 N 6.12 1.03 -2.23 3.88 6.14 -0.27 -4.88 117.35 127.14 2wdl s TYR 160 Ca 0.92 -0.41 0.00 0.00 0.64 0.00 0.00 57.07 58.22 2wdl s TYR 160 Cb -0.37 -0.97 0.00 0.00 0.42 0.00 0.00 41.96 41.03 2wdl s TYR 160 CO 0.38 -0.39 0.00 0.41 0.64 0.00 0.00 175.55 176.59 2wdl n GLY 161 N 4.94 0.61 3.41 8.97 0.00 -1.26 -2.24 105.19 119.62 2wdl n GLY 161 Ca -0.11 -2.12 -0.23 0.00 0.00 0.00 0.00 46.02 43.56 2wdl n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdl n ALA 162 N -1.00 -2.35 -3.51 4.61 0.00 -0.08 -4.74 120.51 113.44 2wdl n ALA 162 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 2wdl n ALA 162 Cb 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 2wdl n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2wdl s GLU 163 N -3.79 1.06 -0.01 0.00 -1.05 -1.19 -4.84 118.70 108.89 2wdl s GLU 163 Ca 0.08 0.21 -0.36 0.00 -0.15 0.00 0.00 54.97 54.74 2wdl s GLU 163 Cb -0.01 0.50 -0.15 0.00 -0.44 0.00 0.00 34.13 34.03 2wdl s GLU 163 CO 0.71 -0.34 1.60 -2.13 0.95 0.00 0.00 175.26 176.05 2wdl n ARG 164 N 0.85 1.61 -3.77 -4.83 0.63 -1.26 -0.71 116.66 109.19 2wdl n ARG 164 Ca -0.19 0.58 -0.13 0.00 -0.92 0.00 0.00 57.85 57.20 2wdl n ARG 164 Cb 0.57 -2.31 -0.11 0.00 0.45 0.00 0.00 32.46 31.06 2wdl n ARG 164 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wdl s VAL 165 N 1.96 -0.01 -0.24 5.15 0.11 0.03 -4.86 120.40 122.55 2wdl s VAL 165 Ca 0.88 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.97 2wdl s VAL 165 Cb -0.86 -0.40 0.05 0.00 -1.53 0.00 0.00 36.38 33.65 2wdl s VAL 165 CO 0.50 0.01 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.28 2wdl s THR 166 N 0.31 1.96 0.45 5.04 2.01 -1.26 -0.03 115.64 124.11 2wdl s THR 166 Ca -0.01 -1.40 -0.15 0.00 0.31 0.00 0.00 61.69 60.44 2wdl s THR 166 Cb -0.03 -2.06 -0.08 0.00 0.01 0.00 0.00 72.50 70.34 2wdl s THR 166 CO -0.01 0.04 0.89 0.54 -0.69 0.00 0.00 174.62 175.38 2wdl s VAL 167 N 1.22 4.61 0.12 3.82 0.11 -0.34 -4.94 120.40 125.00 2wdl s VAL 167 Ca -0.06 1.03 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 2wdl s VAL 167 Cb -0.19 -3.70 -0.00 0.00 -1.53 0.00 0.00 36.38 30.97 2wdl s VAL 167 CO -0.06 -0.54 0.00 0.23 -3.33 0.00 0.00 175.10 171.41 2wdl n MET 168 N -1.24 1.59 -2.78 1.54 0.00 -1.26 -2.11 117.12 112.86 2wdl n MET 168 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 57.70 56.83 2wdl n MET 168 Cb 0.54 0.27 0.00 0.00 0.00 0.00 0.00 33.22 34.03 2wdl n MET 168 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2wdl n ASN 169 N -1.18 0.00 -4.47 7.83 5.15 -1.05 -4.85 115.26 116.69 2wdl n ASN 169 Ca -0.05 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.55 2wdl n ASN 169 Cb 0.16 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.29 2wdl n ASN 169 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2wdl s LEU 170 N -2.73 4.02 0.11 1.20 2.96 0.98 -4.84 118.68 120.38 2wdl s LEU 170 Ca 0.00 -0.39 -0.31 0.00 -0.22 0.00 0.00 54.13 53.21 2wdl s LEU 170 Cb 0.00 -2.02 -0.10 0.00 0.50 0.00 0.00 46.19 44.58 2wdl s LEU 170 CO 0.00 -0.15 1.73 -0.70 -1.32 0.00 0.00 176.35 175.91 2wdl s GLU 171 N 1.64 4.17 -0.45 1.98 2.12 -1.26 -2.15 118.70 124.75 2wdl s GLU 171 Ca 0.05 2.47 -0.29 0.00 0.36 0.00 0.00 54.97 57.56 2wdl s GLU 171 Cb -0.17 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.74 2wdl s GLU 171 CO 0.07 -0.77 1.14 0.08 -0.54 0.00 0.00 175.26 175.24 2wdl s VAL 172 N 2.43 4.24 0.17 3.70 1.01 -0.50 -3.57 120.40 127.87 2wdl s VAL 172 Ca 0.77 1.29 -0.05 0.00 0.00 0.00 0.00 61.98 63.99 2wdl s VAL 172 Cb -0.44 -4.56 -0.09 0.00 0.00 0.00 0.00 36.38 31.29 2wdl s VAL 172 CO 0.34 -0.93 1.44 0.58 0.00 0.00 0.00 175.10 176.53 2wdl h VAL 173 N 6.17 1.33 -3.03 2.92 2.07 -1.21 0.29 116.25 124.78 2wdl h VAL 173 Ca -0.23 -1.92 0.06 0.00 0.82 0.00 0.00 66.70 65.43 2wdl h VAL 173 Cb 1.06 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 2wdl h VAL 173 CO 1.11 0.60 0.21 -0.62 0.02 0.00 0.00 177.57 178.89 2wdl s ASP 174 N -6.97 -0.27 -0.22 0.57 3.68 -1.23 -4.68 116.67 107.56 2wdl s ASP 174 Ca -0.08 -0.59 -0.03 0.00 2.13 0.00 0.00 52.55 53.98 2wdl s ASP 174 Cb 0.10 0.72 0.11 0.00 -1.45 0.00 0.00 42.92 42.40 2wdl s ASP 174 CO 0.86 -1.32 0.26 0.54 0.13 0.00 0.00 175.17 175.64 2wdl s VAL 175 N -3.91 -0.38 -1.02 1.11 0.11 -1.26 -0.91 120.40 114.13 2wdl s VAL 175 Ca 0.11 -0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 2wdl s VAL 175 Cb -0.05 -0.74 0.26 0.00 -1.53 0.00 0.00 36.38 34.32 2wdl s VAL 175 CO 0.06 -0.22 1.01 -0.38 -3.33 0.00 0.00 175.10 172.24 2wdl n ILE 176 N 5.33 3.97 0.25 7.04 -0.00 -1.26 -4.85 119.36 129.85 2wdl n ILE 176 Ca -0.05 -5.33 0.18 0.00 -0.00 0.00 0.00 62.75 57.55 2wdl n ILE 176 Cb 0.49 -2.45 0.86 0.00 -0.00 0.00 0.00 39.64 38.55 2wdl n ILE 176 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 2wdl h PRO 177 N 6.19 0.00 0.25 0.38 0.13 -1.94 -0.12 132.00 136.89 2wdl h PRO 177 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2wdl h PRO 177 Cb 0.82 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 2wdl h PRO 177 CO 0.98 0.00 -0.47 1.49 -0.23 0.00 0.00 178.00 179.77 2wdl h GLU 178 N 0.00 -0.75 -0.01 0.86 4.57 -1.96 -2.89 114.58 114.40 2wdl h GLU 178 Ca 0.06 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2wdl h GLU 178 Cb 0.61 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2wdl h GLU 178 CO -0.00 -0.50 -0.25 -1.91 -1.18 0.00 0.00 179.01 175.17 2wdl n GLU 179 N -5.20 1.24 -2.35 1.92 4.07 -0.84 -4.95 120.64 114.53 2wdl n GLU 179 Ca -0.09 -0.87 0.00 0.00 -0.06 0.00 0.00 57.16 56.14 2wdl n GLU 179 Cb 0.39 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 2wdl n GLU 179 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2wdl n ASN 180 N -0.12 -1.77 -0.89 4.31 2.85 -0.15 -5.02 115.26 114.47 2wdl n ASN 180 Ca 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2wdl n ASN 180 Cb 0.41 -0.49 0.00 0.00 1.24 0.00 0.00 39.78 40.94 2wdl n ASN 180 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2wdl n LEU 181 N -0.39 0.00 0.00 1.20 7.99 -0.66 -2.43 117.00 122.71 2wdl n LEU 181 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2wdl n LEU 181 Cb 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 2wdl n LEU 181 CO 0.00 -0.18 0.00 -0.11 -1.51 0.00 0.00 177.39 175.59 2wdl n LEU 182 N 0.00 0.00 -4.31 2.23 7.94 -0.94 -4.08 117.00 117.84 2wdl n LEU 182 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 2wdl n LEU 182 Cb 0.00 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.80 2wdl n LEU 182 CO 0.00 0.00 -0.55 -0.76 -1.11 0.00 0.00 177.39 174.97 2wdl s LEU 183 N 0.00 2.15 0.00 -1.96 1.02 -0.09 -1.50 118.68 118.30 2wdl s LEU 183 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.60 2wdl s LEU 183 Cb 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 46.19 45.01 2wdl s LEU 183 CO 0.00 0.24 0.00 1.33 0.02 0.00 0.00 176.35 177.94 2wdl n VAL 184 N 1.91 0.00 -1.08 -1.59 0.24 -0.98 -0.74 118.33 116.10 2wdl n VAL 184 Ca -0.17 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 61.90 2wdl n VAL 184 Cb 0.52 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.93 2wdl n VAL 184 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wdl n LYS 185 N 0.00 2.11 0.00 7.34 4.76 -1.23 -2.19 118.16 128.94 2wdl n LYS 185 Ca 0.00 -2.12 0.00 0.00 -2.87 0.00 0.00 58.31 53.32 2wdl n LYS 185 Cb 0.00 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.34 2wdl n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdl n GLY 186 N 0.04 0.00 0.35 0.72 0.00 -1.25 -4.67 105.19 100.38 2wdl n GLY 186 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2wdl n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdl n ALA 187 N 0.00 0.75 -2.47 4.61 0.00 -1.26 -4.71 120.51 117.43 2wdl n ALA 187 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2wdl n ALA 187 Cb 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 2wdl n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdl s VAL 188 N -0.85 4.33 1.06 0.00 0.11 -1.26 -4.80 120.40 119.00 2wdl s VAL 188 Ca 0.00 1.62 -0.12 0.00 -2.93 0.00 0.00 61.98 60.55 2wdl s VAL 188 Cb 0.00 -4.05 0.23 0.00 -1.53 0.00 0.00 36.38 31.03 2wdl s VAL 188 CO 0.00 -0.09 1.07 -2.16 -3.33 0.00 0.00 175.10 170.58 2wdl s PRO 189 N 2.99 -0.10 0.00 1.54 0.04 -1.26 -4.94 135.00 133.27 2wdl s PRO 189 Ca 0.54 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2wdl s PRO 189 Cb -0.22 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2wdl s PRO 189 CO 0.16 -3.14 0.00 0.41 0.04 0.00 0.00 177.00 174.48 2wdl n GLY 190 N -0.24 -1.78 2.83 0.56 0.00 -1.08 -4.58 105.19 100.90 2wdl n GLY 190 Ca 0.05 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 2wdl n GLY 190 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdl n PRO 191 N -2.21 -0.07 -2.54 1.61 -0.04 -1.26 -4.79 135.00 125.70 2wdl n PRO 191 Ca 0.00 -1.91 -0.35 0.00 -0.04 0.00 0.00 63.50 61.20 2wdl n PRO 191 Cb 0.00 -0.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.86 2wdl n PRO 191 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wdl s ASN 192 N -4.05 6.53 -0.03 3.54 0.02 -1.26 -2.60 114.94 117.08 2wdl s ASN 192 Ca 0.49 1.98 0.00 0.00 -1.02 0.00 0.00 52.86 54.32 2wdl s ASN 192 Cb -0.03 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.67 2wdl s ASN 192 CO 0.33 -0.65 0.00 0.61 0.02 0.00 0.00 177.10 177.41 2wdl n GLY 193 N 0.02 0.45 3.80 0.66 0.00 0.19 -4.94 105.19 105.37 2wdl n GLY 193 Ca 0.07 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2wdl n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdl s GLY 194 N -2.10 2.75 -0.60 -0.02 0.00 -1.07 -4.81 107.32 101.47 2wdl s GLY 194 Ca 0.00 0.18 -0.28 0.00 0.00 0.00 0.00 44.72 44.62 2wdl s GLY 194 CO 0.00 0.61 1.42 -2.27 0.00 0.00 0.00 173.10 172.86 2wdl s LEU 195 N -1.33 3.35 0.37 0.66 2.96 -1.26 -1.20 118.68 122.23 2wdl s LEU 195 Ca 0.35 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.48 2wdl s LEU 195 Cb -0.20 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 2wdl s LEU 195 CO 0.22 -1.78 0.40 0.68 -1.32 0.00 0.00 176.35 174.55 2wdl s VAL 196 N 6.22 3.29 -0.08 1.68 -7.23 -0.85 -4.61 120.40 118.81 2wdl s VAL 196 Ca 0.50 -1.23 -0.04 0.00 -1.81 0.00 0.00 61.98 59.40 2wdl s VAL 196 Cb -0.10 -3.14 0.04 0.00 0.56 0.00 0.00 36.38 33.74 2wdl s VAL 196 CO 0.23 -0.09 0.20 -0.51 -0.31 0.00 0.00 175.10 174.61 2wdl s ILE 197 N -2.34 -0.04 0.06 -0.62 2.07 -0.86 -0.90 121.20 118.58 2wdl s ILE 197 Ca 0.46 0.15 0.03 0.00 -1.41 0.00 0.00 60.65 59.88 2wdl s ILE 197 Cb -0.06 -0.31 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 2wdl s ILE 197 CO 0.29 0.06 0.04 -0.69 -1.91 0.00 0.00 174.94 172.73 2wdl s VAL 198 N 1.13 4.30 0.21 4.00 1.01 -0.02 -1.22 120.40 129.81 2wdl s VAL 198 Ca -0.09 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 2wdl s VAL 198 Cb -0.10 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2wdl s VAL 198 CO -0.07 0.18 0.30 -0.13 0.00 0.00 0.00 175.10 175.38 2wdl s ARG 199 N -2.18 1.34 0.19 2.72 0.52 -0.40 -2.93 118.95 118.21 2wdl s ARG 199 Ca 0.26 -1.40 -0.30 0.00 -0.52 0.00 0.00 55.73 53.77 2wdl s ARG 199 Cb -0.12 0.37 -0.08 0.00 0.52 0.00 0.00 34.95 35.65 2wdl s ARG 199 CO 0.18 -0.50 1.07 -1.83 0.02 0.00 0.00 175.30 174.23 2wdl s GLU 200 N -4.07 4.64 0.00 3.54 1.03 -1.24 0.17 118.70 122.77 2wdl s GLU 200 Ca 0.29 1.67 0.00 0.00 0.03 0.00 0.00 54.97 56.96 2wdl s GLU 200 Cb 0.03 -3.28 0.00 0.00 -0.80 0.00 0.00 34.13 30.08 2wdl s GLU 200 CO 0.09 0.16 0.00 -2.37 -1.33 0.00 0.00 175.26 171.81 2wdl n THR 201 N 2.18 0.00 -2.86 1.83 5.66 0.15 -4.55 114.28 116.69 2wdl n THR 201 Ca 0.02 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.90 2wdl n THR 201 Cb 0.46 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.29 2wdl n THR 201 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wdl n LYS 202 N -0.01 1.07 0.13 1.09 4.01 -1.26 -4.69 118.16 118.49 2wdl n LYS 202 Ca 0.00 -2.72 0.12 0.00 -0.51 0.00 0.00 58.31 55.20 2wdl n LYS 202 Cb 0.00 -1.12 0.05 0.00 -0.51 0.00 0.00 35.03 33.45 2wdl n LYS 202 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2wdl h LYS 203 N 2.81 0.00 0.00 1.97 2.10 -1.95 -3.45 116.57 118.05 2wdl h LYS 203 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2wdl h LYS 203 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2wdl h LYS 203 CO 0.31 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.76 2wdl n ALA 204 N -2.14 0.74 0.00 0.07 0.00 -1.26 -5.28 120.51 112.65 2wdl n ALA 204 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2wdl n ALA 204 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wdl n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50