#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi n LYS 2 N 0.00 0.00 0.00 0.03 5.02 -1.26 -4.46 118.16 117.49 2wdi n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wdi n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wdi n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdi n GLY 3 N 0.00 0.89 0.00 0.72 0.00 -1.26 -3.82 105.19 101.72 2wdi n GLY 3 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2wdi n GLY 3 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wdi n ILE 4 N 0.00 0.00 -4.58 -0.61 0.13 -1.20 -4.82 119.36 108.28 2wdi n ILE 4 Ca 0.00 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.38 2wdi n ILE 4 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 39.64 38.69 2wdi n ILE 4 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2wdi s LEU 5 N 0.00 2.84 0.00 9.51 1.43 -1.26 -2.60 118.68 128.61 2wdi s LEU 5 Ca 0.00 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 2wdi s LEU 5 Cb 0.00 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.27 2wdi s LEU 5 CO 0.00 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 2wdi n GLY 6 N -0.93 1.09 3.68 -3.19 0.00 -0.70 -4.10 105.19 101.05 2wdi n GLY 6 Ca -0.05 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 2wdi n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wdi s VAL 7 N -2.00 4.94 0.08 1.61 -7.23 -0.96 -0.38 120.40 116.46 2wdi s VAL 7 Ca 0.00 0.01 -0.31 0.00 -1.81 0.00 0.00 61.98 59.88 2wdi s VAL 7 Cb 0.00 -3.21 -0.08 0.00 0.56 0.00 0.00 36.38 33.65 2wdi s VAL 7 CO 0.00 0.49 1.53 -0.75 -0.31 0.00 0.00 175.10 176.06 2wdi s LYS 8 N 0.11 4.24 -0.15 4.82 2.20 -0.36 -2.43 119.74 128.18 2wdi s LYS 8 Ca 0.06 2.21 0.14 0.00 -0.36 0.00 0.00 55.97 58.02 2wdi s LYS 8 Cb -0.12 -3.44 -0.20 0.00 -1.51 0.00 0.00 37.83 32.56 2wdi s LYS 8 CO 0.00 -0.62 0.08 1.55 -0.36 0.00 0.00 175.35 176.00 2wdi n VAL 9 N 4.41 1.02 -1.96 4.02 3.14 -0.71 0.13 118.33 128.37 2wdi n VAL 9 Ca 0.14 -0.66 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 2wdi n VAL 9 Cb 0.41 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 2wdi n VAL 9 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wdi n GLY 10 N 1.99 -0.75 3.33 7.55 0.00 -1.22 -4.70 105.19 111.40 2wdi n GLY 10 Ca -0.24 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 2wdi n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wdi s MET 11 N -1.92 1.01 0.00 1.61 0.23 -1.26 0.83 119.30 119.80 2wdi s MET 11 Ca 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 55.69 54.15 2wdi s MET 11 Cb 0.00 0.45 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 2wdi s MET 11 CO 0.00 -0.38 0.00 0.25 -2.03 0.00 0.00 175.02 172.86 2wdi n THR 12 N 0.13 0.00 -4.34 3.16 -2.24 0.13 -4.97 114.28 106.15 2wdi n THR 12 Ca -0.17 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 2wdi n THR 12 Cb 0.62 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 2wdi n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdi s ARG 13 N -0.85 1.32 0.21 -0.78 1.70 -1.26 0.61 118.95 119.91 2wdi s ARG 13 Ca 0.00 -1.56 -0.00 0.00 -0.47 0.00 0.00 55.73 53.69 2wdi s ARG 13 Cb 0.00 -1.15 -0.04 0.00 -0.57 0.00 0.00 34.95 33.18 2wdi s ARG 13 CO 0.00 0.20 0.11 0.96 -1.08 0.00 0.00 175.30 175.49 2wdi s ILE 14 N -2.83 0.19 -0.18 4.99 -4.36 -0.76 -4.93 121.20 113.32 2wdi s ILE 14 Ca 0.21 -1.99 -0.06 0.00 -0.26 0.00 0.00 60.65 58.55 2wdi s ILE 14 Cb -0.02 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 2wdi s ILE 14 CO 0.07 -0.04 0.03 -0.36 0.24 0.00 0.00 174.94 174.88 2wdi s PHE 15 N -4.02 3.15 -0.23 1.37 0.08 -1.26 -0.66 117.98 116.41 2wdi s PHE 15 Ca 0.37 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.31 2wdi s PHE 15 Cb 0.07 -2.06 0.06 0.00 -0.57 0.00 0.00 43.02 40.52 2wdi s PHE 15 CO 0.12 0.03 -0.04 1.03 -0.10 0.00 0.00 175.22 176.25 2wdi s ARG 16 N 0.52 1.47 0.00 0.44 0.52 -1.20 -4.83 118.95 115.86 2wdi s ARG 16 Ca 0.01 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 2wdi s ARG 16 Cb -0.13 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.84 2wdi s ARG 16 CO 0.02 -0.60 0.00 -3.47 0.02 0.00 0.00 175.30 171.27 2wdi n ASP 17 N 4.74 0.00 0.00 0.23 4.64 -1.26 -2.87 116.55 122.03 2wdi n ASP 17 Ca -0.12 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.29 2wdi n ASP 17 Cb 0.45 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.53 2wdi n ASP 17 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2wdi n ASP 18 N 3.25 0.00 -3.89 1.67 8.00 -1.26 -5.14 116.55 119.19 2wdi n ASP 18 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 2wdi n ASP 18 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 2wdi n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdi s ARG 19 N 0.00 1.35 0.21 -1.24 1.70 -1.14 -5.11 118.95 114.73 2wdi s ARG 19 Ca 0.00 -0.20 -0.32 0.00 -0.47 0.00 0.00 55.73 54.74 2wdi s ARG 19 Cb 0.00 -1.43 -0.13 0.00 -0.57 0.00 0.00 34.95 32.82 2wdi s ARG 19 CO 0.00 -0.24 1.62 0.00 -1.08 0.00 0.00 175.30 175.60 2wdi n ALA 20 N 4.84 2.10 -2.90 7.88 0.00 -1.26 -3.28 120.51 127.89 2wdi n ALA 20 Ca -0.13 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 2wdi n ALA 20 Cb 0.50 -2.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.36 2wdi n ALA 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wdi s VAL 21 N 0.78 1.75 0.00 0.00 -7.23 0.16 -4.96 120.40 110.90 2wdi s VAL 21 Ca 0.74 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 59.72 2wdi s VAL 21 Cb -0.58 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2wdi s VAL 21 CO 0.38 0.49 1.17 -2.16 -0.31 0.00 0.00 175.10 174.67 2wdi s PRO 22 N 0.02 4.42 -0.08 4.82 0.04 -1.26 -1.82 135.00 141.14 2wdi s PRO 22 Ca -0.06 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.67 2wdi s PRO 22 Cb -0.13 -3.45 0.02 0.00 0.04 0.00 0.00 34.50 30.97 2wdi s PRO 22 CO 0.04 -0.31 -0.12 0.14 0.04 0.00 0.00 177.00 176.79 2wdi s VAL 23 N 1.54 1.14 -0.21 -0.36 -7.23 0.20 -1.97 120.40 113.52 2wdi s VAL 23 Ca 0.56 -0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 60.16 2wdi s VAL 23 Cb -0.26 -1.06 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 2wdi s VAL 23 CO 0.26 0.36 0.21 0.28 -0.31 0.00 0.00 175.10 175.90 2wdi s THR 24 N 0.86 5.34 -0.13 5.32 -1.32 -0.85 -0.70 115.64 124.17 2wdi s THR 24 Ca -0.11 0.32 -0.22 0.00 -1.21 0.00 0.00 61.69 60.48 2wdi s THR 24 Cb -0.15 -3.55 -0.03 0.00 -1.51 0.00 0.00 72.50 67.26 2wdi s THR 24 CO 0.01 0.37 0.64 -0.69 -2.21 0.00 0.00 174.62 172.74 2wdi s VAL 25 N 0.77 5.06 0.34 5.08 1.01 0.24 -1.66 120.40 131.24 2wdi s VAL 25 Ca 0.11 1.27 0.10 0.00 0.00 0.00 0.00 61.98 63.45 2wdi s VAL 25 Cb -0.13 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 2wdi s VAL 25 CO 0.03 0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 174.61 2wdi s ILE 26 N 1.19 2.29 -0.27 2.22 -1.09 0.11 -1.74 121.20 123.91 2wdi s ILE 26 Ca 0.32 -2.21 -0.00 0.00 -2.23 0.00 0.00 60.65 56.54 2wdi s ILE 26 Cb -0.16 -2.63 0.08 0.00 -1.58 0.00 0.00 42.46 38.17 2wdi s ILE 26 CO 0.14 -0.22 0.04 -0.22 -1.23 0.00 0.00 174.94 173.44 2wdi s LEU 27 N -3.61 2.49 -0.83 2.97 2.96 -1.02 -1.07 118.68 120.57 2wdi s LEU 27 Ca 0.32 -1.43 -0.02 0.00 -0.22 0.00 0.00 54.13 52.78 2wdi s LEU 27 Cb 0.02 -1.01 0.31 0.00 0.50 0.00 0.00 46.19 46.00 2wdi s LEU 27 CO 0.17 -0.34 2.10 0.00 -1.32 0.00 0.00 176.35 176.96 2wdi n ALA 28 N 4.75 6.48 -1.00 5.97 0.00 -0.55 -2.27 120.51 133.90 2wdi n ALA 28 Ca -0.05 -4.04 -0.34 0.00 0.00 0.00 0.00 53.44 49.01 2wdi n ALA 28 Cb 0.43 -2.05 0.02 0.00 0.00 0.00 0.00 19.45 17.86 2wdi n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdi n GLY 29 N -0.28 -3.68 3.41 0.00 0.00 -1.26 -4.04 105.19 99.34 2wdi n GLY 29 Ca 0.53 -0.49 -0.48 0.00 0.00 0.00 0.00 46.02 45.58 2wdi n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdi n PRO 30 N 1.89 0.09 -3.88 1.61 -0.02 -1.26 -4.86 135.00 128.56 2wdi n PRO 30 Ca 0.02 0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 61.22 2wdi n PRO 30 Cb 0.47 -1.06 -0.12 0.00 -0.02 0.00 0.00 33.50 32.77 2wdi n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdi n PRO 32 N 2.78 1.35 -2.18 0.00 -0.02 -1.20 -2.34 135.00 133.38 2wdi n PRO 32 Ca 0.11 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 2wdi n PRO 32 Cb 0.34 -3.05 -0.03 0.00 -0.02 0.00 0.00 33.50 30.74 2wdi n PRO 32 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wdi s VAL 33 N 9.53 2.88 -0.27 -1.45 0.11 -1.26 -0.88 120.40 129.06 2wdi s VAL 33 Ca 1.04 0.86 0.22 0.00 -2.93 0.00 0.00 61.98 61.17 2wdi s VAL 33 Cb -0.44 -3.55 0.50 0.00 -1.53 0.00 0.00 36.38 31.36 2wdi s VAL 33 CO 0.36 0.20 1.08 1.33 -3.33 0.00 0.00 175.10 174.73 2wdi n VAL 34 N 1.08 1.20 0.00 2.04 0.24 -0.63 -4.69 118.33 117.57 2wdi n VAL 34 Ca 0.01 -2.93 0.00 0.00 -2.04 0.00 0.00 64.34 59.37 2wdi n VAL 34 Cb 0.42 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 2wdi n VAL 34 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2wdi n GLN 35 N -0.48 0.00 -4.21 7.34 7.27 -1.26 -4.89 117.38 121.15 2wdi n GLN 35 Ca 0.07 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.95 2wdi n GLN 35 Cb 0.81 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 33.30 2wdi n GLN 35 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2wdi s ARG 36 N -2.59 0.78 -1.16 3.69 0.52 -1.26 -1.30 118.95 117.63 2wdi s ARG 36 Ca 0.00 -0.15 -0.06 0.00 -0.52 0.00 0.00 55.73 55.00 2wdi s ARG 36 Cb 0.00 -0.77 0.25 0.00 0.52 0.00 0.00 34.95 34.95 2wdi s ARG 36 CO 0.00 -0.02 1.70 0.54 0.02 0.00 0.00 175.30 177.55 2wdi n ARG 37 N 3.73 4.31 -1.92 3.54 5.12 0.21 -4.89 116.66 126.76 2wdi n ARG 37 Ca -0.22 -4.17 -0.39 0.00 -1.93 0.00 0.00 57.85 51.13 2wdi n ARG 37 Cb 0.52 -2.65 0.01 0.00 -1.16 0.00 0.00 32.46 29.19 2wdi n ARG 37 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2wdi s THR 38 N -1.82 2.34 0.00 0.55 -4.23 -1.26 0.20 115.64 111.42 2wdi s THR 38 Ca 0.36 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2wdi s THR 38 Cb 0.09 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.75 2wdi s THR 38 CO 0.04 0.04 0.00 -2.65 -0.54 0.00 0.00 174.62 171.51 2wdi n PRO 39 N -0.13 0.00 0.09 3.99 -0.02 -1.26 -0.88 135.00 136.79 2wdi n PRO 39 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2wdi n PRO 39 Cb 0.43 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 2wdi n PRO 39 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wdi n GLU 40 N 1.45 0.00 -0.05 -0.52 0.00 -1.26 -4.49 120.64 115.77 2wdi n GLU 40 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 2wdi n GLU 40 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 2wdi n GLU 40 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2wdi h LYS 41 N 0.00 -0.00 0.00 3.44 1.57 -1.80 -3.30 116.57 116.47 2wdi h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wdi h LYS 41 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wdi h LYS 41 CO 0.00 -0.00 -0.92 -0.25 -0.57 0.00 0.00 179.45 177.71 2wdi n ASP 42 N -5.21 3.22 -2.85 0.86 8.00 -0.64 -5.01 116.55 114.93 2wdi n ASP 42 Ca -0.02 -0.14 -0.08 0.00 0.71 0.00 0.00 54.79 55.26 2wdi n ASP 42 Cb 0.13 1.12 0.04 0.00 -0.02 0.00 0.00 41.12 42.39 2wdi n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdi n GLY 43 N 2.01 -0.86 0.00 0.44 0.00 -0.06 -4.88 105.19 101.83 2wdi n GLY 43 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2wdi n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wdi n TYR 44 N -2.43 0.00 -0.20 1.61 4.11 -1.24 -4.82 117.16 114.19 2wdi n TYR 44 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 2wdi n TYR 44 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 2wdi n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2wdi n THR 45 N 0.00 -1.18 0.00 -3.48 -1.04 0.53 -4.77 114.28 104.34 2wdi n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wdi n THR 45 Cb 0.00 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 2wdi n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdi n ALA 46 N 0.47 0.00 -2.85 2.41 0.00 -1.21 -2.98 120.51 116.35 2wdi n ALA 46 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2wdi n ALA 46 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2wdi n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wdi s VAL 47 N -1.70 4.95 -0.72 0.00 1.01 -1.21 0.68 120.40 123.41 2wdi s VAL 47 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.44 2wdi s VAL 47 Cb 0.00 -3.40 0.19 0.00 0.00 0.00 0.00 36.38 33.17 2wdi s VAL 47 CO 0.00 0.13 0.59 1.67 0.00 0.00 0.00 175.10 177.49 2wdi n GLN 48 N 0.38 2.09 -2.13 2.72 7.27 -0.42 -1.54 117.38 125.76 2wdi n GLN 48 Ca -0.07 -4.54 -0.38 0.00 0.07 0.00 0.00 57.00 52.09 2wdi n GLN 48 Cb 0.51 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.87 2wdi n GLN 48 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2wdi s LEU 49 N -1.70 3.99 0.26 1.69 1.02 -1.22 -1.60 118.68 121.11 2wdi s LEU 49 Ca 0.28 2.44 0.08 0.00 0.02 0.00 0.00 54.13 56.95 2wdi s LEU 49 Cb -0.00 -4.22 -0.04 0.00 0.02 0.00 0.00 46.19 41.95 2wdi s LEU 49 CO -0.13 -1.07 0.16 -0.83 0.02 0.00 0.00 176.35 174.51 2wdi s GLY 50 N -1.21 1.47 -0.07 -3.19 0.00 -0.06 -2.56 107.32 101.69 2wdi s GLY 50 Ca 0.65 -1.47 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 2wdi s GLY 50 CO 0.39 -1.51 0.34 -0.12 0.00 0.00 0.00 173.10 172.20 2wdi s PHE 51 N -2.18 -0.30 0.01 1.90 2.19 -1.22 -3.27 117.98 115.12 2wdi s PHE 51 Ca 0.33 0.63 0.00 0.00 0.33 0.00 0.00 56.93 58.22 2wdi s PHE 51 Cb -0.07 0.12 0.00 0.00 -1.31 0.00 0.00 43.02 41.76 2wdi s PHE 51 CO 0.24 -0.29 0.00 -0.11 1.83 0.00 0.00 175.22 176.89 2wdi n LEU 52 N 2.07 -2.22 0.00 6.12 7.94 -1.26 -3.51 117.00 126.13 2wdi n LEU 52 Ca -0.17 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2wdi n LEU 52 Cb 0.57 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2wdi n LEU 52 CO 0.18 -0.10 0.00 -2.65 -1.11 0.00 0.00 177.39 173.71 2wdi n PRO 53 N 0.10 2.75 -0.29 1.96 -0.02 -1.26 -0.93 135.00 137.31 2wdi n PRO 53 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 2wdi n PRO 53 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 2wdi n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdi n GLN 54 N 0.00 0.00 0.00 -0.52 10.64 -1.26 -2.66 117.38 123.58 2wdi n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wdi n GLN 54 Cb 0.00 -0.32 0.00 0.00 -0.86 0.00 0.00 30.24 29.06 2wdi n GLN 54 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2wdi n ASN 55 N 1.05 0.00 -3.78 2.61 4.05 -1.26 -3.67 115.26 114.26 2wdi n ASN 55 Ca -0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2wdi n ASN 55 Cb 0.15 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.16 2wdi n ASN 55 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2wdi n PRO 56 N 0.00 0.00 -2.81 1.20 -0.02 -1.26 -3.24 135.00 128.87 2wdi n PRO 56 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 2wdi n PRO 56 Cb 0.00 -0.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 2wdi n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wdi n LYS 57 N 4.15 -0.96 -0.26 -0.52 5.02 -1.26 -4.65 118.16 119.67 2wdi n LYS 57 Ca 0.00 0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.31 2wdi n LYS 57 Cb 0.45 -1.13 0.09 0.00 -0.02 0.00 0.00 35.03 34.42 2wdi n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wdi n ARG 58 N -1.86 1.81 0.00 1.97 1.74 -1.20 -4.76 116.66 114.36 2wdi n ARG 58 Ca -0.05 -0.82 0.00 0.00 -0.77 0.00 0.00 57.85 56.21 2wdi n ARG 58 Cb 0.18 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2wdi n ARG 58 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2wdi n VAL 59 N 0.13 0.00 0.00 1.55 3.14 -1.26 -5.07 118.33 116.83 2wdi n VAL 59 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 2wdi n VAL 59 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 2wdi n VAL 59 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2wdi n ASN 60 N 0.00 0.00 0.00 6.55 0.23 -1.26 -4.97 115.26 115.81 2wdi n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2wdi n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2wdi n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2wdi n ARG 61 N 0.00 0.00 -2.78 -3.83 0.63 -1.26 -2.39 116.66 107.03 2wdi n ARG 61 Ca 0.00 0.33 -0.43 0.00 -0.92 0.00 0.00 57.85 56.83 2wdi n ARG 61 Cb 0.00 -0.54 -0.03 0.00 0.45 0.00 0.00 32.46 32.34 2wdi n ARG 61 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2wdi s PRO 62 N -2.13 3.52 0.03 -0.14 0.04 -1.26 -4.71 135.00 130.34 2wdi s PRO 62 Ca 0.00 -1.37 -0.06 0.00 0.04 0.00 0.00 61.00 59.60 2wdi s PRO 62 Cb 0.00 -4.95 -0.30 0.00 0.04 0.00 0.00 34.50 29.29 2wdi s PRO 62 CO 0.00 -1.94 0.95 1.25 0.04 0.00 0.00 177.00 177.30 2wdi h LEU 63 N 11.43 0.50 -3.58 -3.56 6.46 -1.88 -3.48 115.31 121.19 2wdi h LEU 63 Ca 0.10 -0.61 -0.46 0.00 -0.12 0.00 0.00 57.88 56.79 2wdi h LEU 63 Cb 1.03 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.80 2wdi h LEU 63 CO 1.23 1.49 -0.94 1.17 -0.62 0.00 0.00 178.44 180.78 2wdi n LYS 64 N -3.53 -1.14 -0.14 1.25 4.81 -1.26 -4.76 118.16 113.40 2wdi n LYS 64 Ca -0.15 0.62 0.11 0.00 -0.87 0.00 0.00 58.31 58.02 2wdi n LYS 64 Cb 1.05 -2.98 0.26 0.00 0.02 0.00 0.00 35.03 33.38 2wdi n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wdi n GLY 65 N -1.78 1.19 0.42 3.14 0.00 -1.26 -4.34 105.19 102.55 2wdi n GLY 65 Ca -0.20 -0.63 0.14 0.00 0.00 0.00 0.00 46.02 45.33 2wdi n GLY 65 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2wdi h HIS 66 N 3.77 0.00 -4.16 1.61 6.17 -2.00 -3.39 115.15 117.16 2wdi h HIS 66 Ca 0.00 0.00 -0.69 0.00 0.71 0.00 0.00 60.37 60.39 2wdi h HIS 66 Cb 0.83 0.00 -0.25 0.00 2.52 0.00 0.00 27.41 30.51 2wdi h HIS 66 CO 0.18 0.00 -0.85 -0.06 0.71 0.00 0.00 177.93 177.91 2wdi s PHE 67 N -4.22 2.40 0.08 5.26 0.40 -1.26 -5.05 117.98 115.58 2wdi s PHE 67 Ca -0.02 -0.36 -0.18 0.00 -0.60 0.00 0.00 56.93 55.78 2wdi s PHE 67 Cb 0.07 -1.40 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 2wdi s PHE 67 CO 0.25 0.19 1.30 0.00 0.70 0.00 0.00 175.22 177.66 2wdi h ALA 68 N 4.62 -0.45 0.00 5.36 0.00 -1.92 0.86 119.26 127.74 2wdi h ALA 68 Ca -0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wdi h ALA 68 Cb 1.15 1.07 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2wdi h ALA 68 CO 0.45 -0.63 0.00 1.63 0.00 0.00 0.00 179.25 180.69 2wdi n LYS 69 N -4.22 0.00 -0.34 0.00 5.02 -1.26 -3.03 118.16 114.33 2wdi n LYS 69 Ca -0.01 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.47 2wdi n LYS 69 Cb 0.17 -1.14 0.41 0.00 -0.02 0.00 0.00 35.03 34.45 2wdi n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdi h ALA 70 N 1.04 1.88 0.00 7.82 0.00 -1.10 -3.45 119.26 125.44 2wdi h ALA 70 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wdi h ALA 70 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wdi h ALA 70 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.33 2wdi n GLY 71 N -1.35 0.00 2.95 0.00 0.00 -1.17 -0.88 105.19 104.74 2wdi n GLY 71 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 2wdi n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdi n VAL 72 N 0.76 -0.68 0.00 1.61 0.31 -1.26 -4.44 118.33 114.62 2wdi n VAL 72 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2wdi n VAL 72 Cb 0.00 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 2wdi n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wdi n GLU 73 N -1.11 0.00 -2.58 5.55 4.07 -0.06 -4.43 120.64 122.08 2wdi n GLU 73 Ca -0.06 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.67 2wdi n GLU 73 Cb 0.15 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.48 2wdi n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wdi s PRO 74 N 0.00 4.27 0.00 5.31 0.04 -1.26 -4.26 135.00 139.11 2wdi s PRO 74 Ca 0.00 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2wdi s PRO 74 Cb 0.00 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2wdi s PRO 74 CO 0.00 -0.04 0.00 0.28 0.04 0.00 0.00 177.00 177.28 2wdi n VAL 75 N 0.12 0.00 -1.51 -0.36 0.31 -0.11 -4.29 118.33 112.50 2wdi n VAL 75 Ca 0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.11 2wdi n VAL 75 Cb 0.49 -0.87 -0.18 0.00 -0.91 0.00 0.00 33.84 32.37 2wdi n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdi n ARG 76 N 0.00 0.14 -0.02 5.55 1.74 -1.23 -4.75 116.66 118.10 2wdi n ARG 76 Ca 0.00 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 2wdi n ARG 76 Cb 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 2wdi n ARG 76 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wdi n ILE 77 N 6.57 0.00 -4.57 0.55 5.41 -1.26 -3.60 119.36 122.46 2wdi n ILE 77 Ca 0.63 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 64.04 2wdi n ILE 77 Cb 0.18 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.00 2wdi n ILE 77 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2wdi s LEU 78 N 0.00 3.23 -0.01 1.39 2.34 -1.26 -3.39 118.68 120.98 2wdi s LEU 78 Ca 0.00 -0.02 0.02 0.00 0.06 0.00 0.00 54.13 54.20 2wdi s LEU 78 Cb 0.00 -1.72 -0.00 0.00 -0.56 0.00 0.00 46.19 43.91 2wdi s LEU 78 CO 0.00 0.34 -0.08 -0.13 -1.06 0.00 0.00 176.35 175.42 2wdi s ARG 79 N -0.66 0.68 0.98 1.48 3.00 -1.06 -5.00 118.95 118.37 2wdi s ARG 79 Ca 0.10 -0.28 -0.12 0.00 0.00 0.00 0.00 55.73 55.43 2wdi s ARG 79 Cb -0.11 -0.66 0.18 0.00 0.00 0.00 0.00 34.95 34.36 2wdi s ARG 79 CO 0.02 0.16 1.08 -1.21 0.00 0.00 0.00 175.30 175.35 2wdi s GLU 80 N -0.11 0.57 -0.06 3.54 2.02 -1.26 -3.41 118.70 120.00 2wdi s GLU 80 Ca 0.02 0.80 0.24 0.00 0.02 0.00 0.00 54.97 56.04 2wdi s GLU 80 Cb -0.04 -1.73 0.44 0.00 0.10 0.00 0.00 34.13 32.90 2wdi s GLU 80 CO -0.00 -2.71 1.17 -0.89 0.02 0.00 0.00 175.26 172.85 2wdi n ILE 81 N -4.20 0.44 0.00 -1.63 2.08 -0.59 -4.92 119.36 110.54 2wdi n ILE 81 Ca 0.06 -1.53 0.00 0.00 0.56 0.00 0.00 62.75 61.84 2wdi n ILE 81 Cb 0.55 0.85 0.00 0.00 -0.75 0.00 0.00 39.64 40.29 2wdi n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2wdi n ARG 82 N 0.17 0.00 -1.40 0.38 5.12 -1.26 -4.30 116.66 115.37 2wdi n ARG 82 Ca 0.08 0.00 -0.53 0.00 -1.93 0.00 0.00 57.85 55.47 2wdi n ARG 82 Cb 1.05 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 32.27 2wdi n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2wdi n ASP 83 N -3.90 1.80 0.00 0.55 8.00 -1.16 -3.32 116.55 118.53 2wdi n ASP 83 Ca 0.00 0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.98 2wdi n ASP 83 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 39.92 2wdi n ASP 83 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2wdi n PHE 84 N 9.29 0.00 -3.68 1.24 -0.00 -1.26 -3.34 117.46 119.70 2wdi n PHE 84 Ca 0.45 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.52 2wdi n PHE 84 Cb 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 39.48 39.53 2wdi n PHE 84 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2wdi s ASN 85 N 0.00 5.48 0.51 -2.13 3.84 -1.26 -4.31 114.94 117.08 2wdi s ASN 85 Ca 0.00 -0.28 0.06 0.00 0.21 0.00 0.00 52.86 52.86 2wdi s ASN 85 Cb 0.00 -2.00 0.02 0.00 -0.55 0.00 0.00 41.25 38.73 2wdi s ASN 85 CO 0.00 -0.10 0.40 -2.16 -2.79 0.00 0.00 177.10 172.45 2wdi s PRO 86 N 1.65 2.31 -1.23 0.43 0.04 -1.26 -4.98 135.00 131.95 2wdi s PRO 86 Ca 0.06 -1.90 -0.15 0.00 0.04 0.00 0.00 61.00 59.05 2wdi s PRO 86 Cb -0.16 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2wdi s PRO 86 CO 0.06 -0.51 2.22 -0.85 0.04 0.00 0.00 177.00 177.96 2wdi n GLU 87 N -1.70 2.50 -0.95 4.56 0.28 -1.26 -4.89 120.64 119.18 2wdi n GLU 87 Ca 0.00 -2.24 -0.38 0.00 -0.16 0.00 0.00 57.16 54.38 2wdi n GLU 87 Cb 0.64 -3.06 -0.06 0.00 1.43 0.00 0.00 31.44 30.39 2wdi n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wdi n GLY 88 N 4.14 0.07 0.00 -1.84 0.00 -1.26 -4.82 105.19 101.48 2wdi n GLY 88 Ca 0.54 0.59 0.00 0.00 0.00 0.00 0.00 46.02 47.15 2wdi n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wdi n ASP 89 N 2.67 0.00 -2.04 1.61 9.92 -1.26 -5.03 116.55 122.41 2wdi n ASP 89 Ca 0.20 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.44 2wdi n ASP 89 Cb -0.03 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.43 2wdi n ASP 89 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2wdi n THR 90 N 0.00 -8.78 -3.33 -3.53 -1.04 -1.25 -4.94 114.28 91.41 2wdi n THR 90 Ca 0.00 1.69 -0.30 0.00 -2.04 0.00 0.00 64.05 63.40 2wdi n THR 90 Cb 0.00 -5.17 -0.04 0.00 -1.82 0.00 0.00 70.33 63.30 2wdi n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wdi s VAL 91 N -0.38 4.97 0.28 12.58 1.01 -0.99 -4.79 120.40 133.09 2wdi s VAL 91 Ca -0.13 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 2wdi s VAL 91 Cb 0.01 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2wdi s VAL 91 CO 0.35 -0.23 0.39 0.42 0.00 0.00 0.00 175.10 176.02 2wdi s THR 92 N -1.99 0.00 0.33 3.92 -4.23 -1.26 -0.94 115.64 111.47 2wdi s THR 92 Ca 0.46 -1.66 0.10 0.00 -1.18 0.00 0.00 61.69 59.41 2wdi s THR 92 Cb -0.11 -2.47 0.35 0.00 1.34 0.00 0.00 72.50 71.61 2wdi s THR 92 CO 0.26 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.54 2wdi h VAL 93 N 2.27 0.17 0.00 2.29 2.07 -1.90 0.23 116.25 121.38 2wdi h VAL 93 Ca -0.29 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2wdi h VAL 93 Cb 1.24 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2wdi h VAL 93 CO 0.41 0.03 0.16 -0.62 0.02 0.00 0.00 177.57 177.57 2wdi n GLU 94 N -5.24 0.00 0.17 1.57 1.02 -1.26 -0.08 120.64 116.81 2wdi n GLU 94 Ca 0.29 0.15 0.05 0.00 -0.02 0.00 0.00 57.16 57.63 2wdi n GLU 94 Cb 0.93 -1.66 0.22 0.00 -0.02 0.00 0.00 31.44 30.91 2wdi n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2wdi h ILE 95 N 0.00 0.82 -3.30 -3.67 5.03 -0.95 -3.43 117.51 112.01 2wdi h ILE 95 Ca 0.00 -1.76 -0.63 0.00 -0.12 0.00 0.00 64.86 62.34 2wdi h ILE 95 Cb 0.33 2.12 -0.19 0.00 -3.03 0.00 0.00 36.82 36.05 2wdi h ILE 95 CO 0.00 0.40 -0.62 -0.36 -0.68 0.00 0.00 178.15 176.89 2wdi s PHE 96 N -3.33 3.12 -0.15 1.37 0.08 0.88 -5.09 117.98 114.86 2wdi s PHE 96 Ca 0.02 -0.10 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 2wdi s PHE 96 Cb 0.09 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 2wdi s PHE 96 CO 0.70 0.10 0.07 0.15 -0.10 0.00 0.00 175.22 176.14 2wdi s LYS 97 N 0.20 3.70 -0.82 0.44 -0.14 -1.26 -4.93 119.74 116.93 2wdi s LYS 97 Ca 0.00 -0.31 -0.34 0.00 -1.36 0.00 0.00 55.97 53.96 2wdi s LYS 97 Cb -0.13 -3.14 -0.20 0.00 -1.68 0.00 0.00 37.83 32.68 2wdi s LYS 97 CO 0.02 0.45 2.52 -2.30 -0.76 0.00 0.00 175.35 175.28 2wdi n PRO 98 N 2.97 0.09 0.00 -1.68 -0.02 -1.26 -2.26 135.00 132.84 2wdi n PRO 98 Ca -0.18 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2wdi n PRO 98 Cb 0.53 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2wdi n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdi n GLY 99 N 6.74 0.51 3.90 -1.23 0.00 -0.19 -4.96 105.19 109.97 2wdi n GLY 99 Ca 0.61 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 2wdi n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdi s GLU 100 N 0.00 3.65 -0.21 1.61 2.02 -0.96 -4.75 118.70 120.06 2wdi s GLU 100 Ca 0.00 0.09 -0.20 0.00 0.02 0.00 0.00 54.97 54.88 2wdi s GLU 100 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 2wdi s GLU 100 CO 0.00 0.15 0.60 1.03 0.02 0.00 0.00 175.26 177.06 2wdi s ARG 101 N -3.68 4.18 0.09 1.61 1.81 -1.26 -1.00 118.95 120.70 2wdi s ARG 101 Ca 0.45 0.55 0.05 0.00 -1.72 0.00 0.00 55.73 55.07 2wdi s ARG 101 Cb -0.11 -3.59 -0.03 0.00 -0.45 0.00 0.00 34.95 30.77 2wdi s ARG 101 CO 0.31 -0.26 -0.14 0.14 -0.68 0.00 0.00 175.30 174.67 2wdi s VAL 102 N 1.97 1.20 0.20 3.52 -7.23 0.33 -1.10 120.40 119.29 2wdi s VAL 102 Ca 0.27 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 2wdi s VAL 102 Cb -0.16 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 2wdi s VAL 102 CO 0.10 -0.31 0.25 -1.81 -0.31 0.00 0.00 175.10 173.02 2wdi s ASP 103 N -2.04 5.98 -0.04 4.85 1.01 -0.72 -0.70 116.67 125.01 2wdi s ASP 103 Ca 0.03 -0.02 -0.01 0.00 0.71 0.00 0.00 52.55 53.26 2wdi s ASP 103 Cb -0.08 -1.68 0.03 0.00 1.01 0.00 0.00 42.92 42.20 2wdi s ASP 103 CO 0.02 0.00 0.07 -0.69 0.21 0.00 0.00 175.17 174.78 2wdi s VAL 104 N -1.90 -0.09 0.08 -1.27 1.01 -0.77 -2.15 120.40 115.30 2wdi s VAL 104 Ca 0.33 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2wdi s VAL 104 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 2wdi s VAL 104 CO 0.27 0.13 0.17 -0.89 0.00 0.00 0.00 175.10 174.77 2wdi s THR 105 N 1.59 5.07 0.21 3.92 2.01 -1.13 -0.80 115.64 126.50 2wdi s THR 105 Ca -0.03 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.19 2wdi s THR 105 Cb -0.12 -3.48 0.06 0.00 0.01 0.00 0.00 72.50 68.97 2wdi s THR 105 CO -0.04 0.11 0.95 -0.83 -0.69 0.00 0.00 174.62 174.12 2wdi s GLY 106 N -2.54 -0.01 -0.63 4.40 0.00 0.42 -2.51 107.32 106.45 2wdi s GLY 106 Ca 0.33 -0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.76 2wdi s GLY 106 CO 0.26 0.79 0.51 -1.59 0.00 0.00 0.00 173.10 173.07 2wdi s THR 107 N -2.80 4.63 0.49 0.90 2.01 -1.26 -0.32 115.64 119.29 2wdi s THR 107 Ca 0.16 -2.25 -0.22 0.00 0.31 0.00 0.00 61.69 59.69 2wdi s THR 107 Cb -0.03 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 2wdi s THR 107 CO 0.05 -0.89 0.96 -1.54 -0.69 0.00 0.00 174.62 172.52 2wdi n SER 108 N 4.31 0.97 -4.60 3.53 3.41 -1.08 -3.55 113.62 116.61 2wdi n SER 108 Ca 0.02 0.94 -0.43 0.00 -0.26 0.00 0.00 58.87 59.14 2wdi n SER 108 Cb 0.42 -1.36 -0.00 0.00 -0.26 0.00 0.00 64.21 63.01 2wdi n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wdi n LYS 109 N -0.22 1.36 -3.29 4.33 5.02 -1.26 -2.51 118.16 121.58 2wdi n LYS 109 Ca 0.11 0.48 -0.39 0.00 -2.02 0.00 0.00 58.31 56.49 2wdi n LYS 109 Cb 0.42 -1.94 -0.07 0.00 -0.02 0.00 0.00 35.03 33.42 2wdi n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wdi s GLY 110 N -0.64 2.00 -0.05 0.72 0.00 -1.26 -3.08 107.32 105.00 2wdi s GLY 110 Ca 0.61 -0.52 0.21 0.00 0.00 0.00 0.00 44.72 45.02 2wdi s GLY 110 CO 0.59 1.05 1.59 0.54 0.00 0.00 0.00 173.10 176.87 2wdi n ARG 111 N 4.96 3.14 0.00 2.90 1.74 0.42 -4.77 116.66 125.04 2wdi n ARG 111 Ca -0.06 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 2wdi n ARG 111 Cb 0.50 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2wdi n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdi n GLY 112 N 1.48 1.01 3.46 -0.13 0.00 -1.10 -3.97 105.19 105.94 2wdi n GLY 112 Ca 0.25 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 2wdi n GLY 112 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wdi n PHE 113 N 4.43 4.55 -3.35 1.61 7.35 -1.26 -0.16 117.46 130.63 2wdi n PHE 113 Ca 0.00 -2.92 -0.36 0.00 -0.76 0.00 0.00 57.45 53.41 2wdi n PHE 113 Cb 0.00 -2.57 -0.06 0.00 0.35 0.00 0.00 39.48 37.21 2wdi n PHE 113 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdi s ALA 114 N 3.73 3.59 0.73 3.13 0.00 0.24 -4.79 121.76 128.38 2wdi s ALA 114 Ca 0.52 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 2wdi s ALA 114 Cb 0.04 -2.54 0.06 0.00 0.00 0.00 0.00 23.12 20.69 2wdi s ALA 114 CO 0.05 0.44 1.06 0.20 0.00 0.00 0.00 175.76 177.51 2wdi s GLY 115 N -1.54 1.65 0.60 0.00 0.00 -1.26 -1.71 107.32 105.07 2wdi s GLY 115 Ca 0.35 -0.81 -0.20 0.00 0.00 0.00 0.00 44.72 44.06 2wdi s GLY 115 CO 0.19 -0.39 1.31 0.54 0.00 0.00 0.00 173.10 174.75 2wdi s VAL 116 N -3.33 2.11 0.00 1.40 0.11 -1.26 -2.42 120.40 117.00 2wdi s VAL 116 Ca 0.60 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 2wdi s VAL 116 Cb -0.11 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.71 2wdi s VAL 116 CO 0.46 -0.01 0.00 0.80 -3.33 0.00 0.00 175.10 173.02 2wdi n MET 117 N -1.53 0.00 0.00 1.54 0.00 -1.26 -4.74 117.12 111.12 2wdi n MET 117 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.84 2wdi n MET 117 Cb 0.47 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 32.53 2wdi n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2wdi n LYS 118 N -0.70 0.00 0.08 2.12 0.00 -1.24 -4.60 118.16 113.83 2wdi n LYS 118 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 58.31 58.41 2wdi n LYS 118 Cb 0.28 0.00 0.42 0.00 0.00 0.00 0.00 35.03 35.74 2wdi n LYS 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wdi n ARG 119 N 0.00 0.12 0.00 1.64 0.00 -1.02 -3.94 116.66 113.47 2wdi n ARG 119 Ca 0.00 0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.22 2wdi n ARG 119 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 32.46 30.72 2wdi n ARG 119 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2wdi n TRP 120 N -1.98 0.00 -2.38 -0.14 5.03 -1.26 -5.00 117.44 111.71 2wdi n TRP 120 Ca 0.02 0.00 -0.17 0.00 3.03 0.00 0.00 57.50 60.38 2wdi n TRP 120 Cb 0.20 0.00 -0.00 0.00 -1.03 0.00 0.00 31.31 30.48 2wdi n TRP 120 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 2wdi n ASN 121 N 0.00 -5.08 -4.66 -0.99 4.13 -1.25 -4.73 115.26 102.68 2wdi n ASN 121 Ca 0.00 -0.04 -0.31 0.00 1.68 0.00 0.00 54.58 55.91 2wdi n ASN 121 Cb 0.02 -4.14 0.17 0.00 -1.54 0.00 0.00 39.78 34.29 2wdi n ASN 121 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2wdi s PHE 122 N -2.88 1.57 0.21 3.10 0.40 -1.26 -4.82 117.98 114.30 2wdi s PHE 122 Ca 0.03 1.78 0.05 0.00 -0.60 0.00 0.00 56.93 58.18 2wdi s PHE 122 Cb -0.01 -3.34 0.14 0.00 0.51 0.00 0.00 43.02 40.32 2wdi s PHE 122 CO 0.03 -2.89 1.48 0.00 0.70 0.00 0.00 175.22 174.55 2wdi h ALA 123 N -1.93 0.71 -0.15 5.36 0.00 -1.93 -3.42 119.26 117.90 2wdi h ALA 123 Ca -0.44 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2wdi h ALA 123 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wdi h ALA 123 CO 0.42 0.83 0.00 0.41 0.00 0.00 0.00 179.25 180.91 2wdi n GLY 124 N 0.55 0.76 3.28 0.00 0.00 -1.26 -4.91 105.19 103.62 2wdi n GLY 124 Ca -0.03 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 2wdi n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdi s GLY 125 N -0.07 1.62 0.52 -0.02 0.00 0.33 -4.79 107.32 104.92 2wdi s GLY 125 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.71 2wdi s GLY 125 CO 0.00 -1.55 1.17 -4.14 0.00 0.00 0.00 173.10 168.59 2wdi s PRO 126 N -4.05 3.43 0.00 2.90 0.02 -1.26 -4.80 135.00 131.25 2wdi s PRO 126 Ca 0.37 1.76 0.26 0.00 0.02 0.00 0.00 61.00 63.40 2wdi s PRO 126 Cb 0.08 -2.17 0.58 0.00 0.02 0.00 0.00 34.50 33.01 2wdi s PRO 126 CO 0.12 -0.82 1.47 -0.25 -0.33 0.00 0.00 177.00 177.20 2wdi n ASP 127 N -1.01 1.98 -0.54 2.53 8.00 -1.26 -4.61 116.55 121.64 2wdi n ASP 127 Ca 0.10 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 54.04 2wdi n ASP 127 Cb 0.49 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 2wdi n ASP 127 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2wdi n SER 128 N 0.39 0.00 0.00 -2.24 3.41 -1.26 -5.02 113.62 108.90 2wdi n SER 128 Ca 0.15 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 2wdi n SER 128 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2wdi n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wdi n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -4.66 115.22 124.88 2wdi n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdi n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdi n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdi n GLY 130 N 0.00 -3.41 0.00 -1.41 0.00 -1.26 -4.98 105.19 94.13 2wdi n GLY 130 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2wdi n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdi n ALA 131 N -2.97 0.00 -1.00 4.61 0.00 -1.26 -4.99 120.51 114.91 2wdi n ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdi n ALA 131 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdi n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wdi n HIS 132 N -2.11 0.00 -0.43 0.00 -0.00 -1.26 -4.73 115.22 106.69 2wdi n HIS 132 Ca 0.00 -0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.25 2wdi n HIS 132 Cb 0.00 -0.00 0.21 0.00 -0.12 0.00 0.00 29.99 30.08 2wdi n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2wdi n LYS 133 N -0.00 2.98 -1.38 1.57 5.02 -1.26 -4.49 118.16 120.60 2wdi n LYS 133 Ca 0.00 -2.37 0.02 0.00 -2.02 0.00 0.00 58.31 53.94 2wdi n LYS 133 Cb 0.41 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 34.01 2wdi n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2wdi n ILE 134 N 0.40 1.04 -0.34 -0.18 -0.00 -1.26 -4.88 119.36 114.15 2wdi n ILE 134 Ca 0.16 -2.18 0.20 0.00 -0.00 0.00 0.00 62.75 60.94 2wdi n ILE 134 Cb 0.60 0.47 0.44 0.00 -0.00 0.00 0.00 39.64 41.15 2wdi n ILE 134 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 2wdi h HIS 135 N 1.25 0.85 -0.99 4.28 3.86 -1.81 -2.85 115.15 119.74 2wdi h HIS 135 Ca -0.10 0.03 -0.46 0.00 -1.16 0.00 0.00 60.37 58.68 2wdi h HIS 135 Cb 1.51 -0.25 -0.41 0.00 1.06 0.00 0.00 27.41 29.32 2wdi h HIS 135 CO 0.45 0.06 -0.94 0.54 0.86 0.00 0.00 177.93 178.90 2wdi n ARG 136 N -4.77 2.60 -4.09 2.45 1.74 -1.26 -0.51 116.66 112.81 2wdi n ARG 136 Ca 0.26 -3.93 -0.23 0.00 -0.77 0.00 0.00 57.85 53.18 2wdi n ARG 136 Cb 0.81 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 2wdi n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2wdi s HIS 137 N -3.50 3.15 -1.36 -1.55 3.76 -1.07 -4.87 115.29 109.84 2wdi s HIS 137 Ca 0.40 -0.07 0.10 0.00 -0.15 0.00 0.00 55.06 55.34 2wdi s HIS 137 Cb 0.40 -1.46 0.48 0.00 1.11 0.00 0.00 32.58 33.12 2wdi s HIS 137 CO -0.05 0.52 1.22 -0.35 -0.85 0.00 0.00 174.74 175.22 2wdi n PRO 138 N -0.89 0.12 0.00 8.40 -0.04 -1.26 -4.32 135.00 137.01 2wdi n PRO 138 Ca -0.08 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2wdi n PRO 138 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2wdi n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdi n GLY 139 N -0.46 2.19 3.95 0.55 0.00 -1.26 -4.78 105.19 105.37 2wdi n GLY 139 Ca 0.04 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 2wdi n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdi s SER 140 N -4.00 6.12 -0.00 1.61 0.15 -1.26 -5.04 113.70 111.28 2wdi s SER 140 Ca 0.00 0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.99 2wdi s SER 140 Cb 0.00 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.52 2wdi s SER 140 CO 0.00 -0.43 0.68 2.30 1.20 0.00 0.00 173.24 177.00 2wdi n ILE 141 N -1.85 0.13 -1.92 6.45 -5.35 -1.26 -5.13 119.36 110.42 2wdi n ILE 141 Ca -0.03 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2wdi n ILE 141 Cb 0.57 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 2wdi n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdi n GLY 142 N -0.08 2.53 0.00 3.28 0.00 -1.26 -4.77 105.19 104.89 2wdi n GLY 142 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2wdi n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdi n ASN 143 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.13 115.26 115.51 2wdi n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2wdi n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2wdi n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wdi n ARG 144 N 0.00 0.00 0.08 3.52 5.12 -1.26 -5.03 116.66 119.09 2wdi n ARG 144 Ca 0.00 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.77 2wdi n ARG 144 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 2wdi n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2wdi h LYS 145 N 0.00 -0.63 -5.16 5.56 1.79 -2.02 -3.10 116.57 113.00 2wdi h LYS 145 Ca 0.00 0.04 -0.61 0.00 -2.18 0.00 0.00 60.65 57.90 2wdi h LYS 145 Cb 0.00 0.14 -0.14 0.00 -1.58 0.00 0.00 32.23 30.66 2wdi h LYS 145 CO 0.00 -0.42 -0.45 0.95 -1.08 0.00 0.00 179.45 178.45 2wdi s THR 146 N -5.84 5.34 0.15 -0.16 -4.23 -1.26 -0.96 115.64 108.69 2wdi s THR 146 Ca -0.16 0.27 -0.13 0.00 -1.18 0.00 0.00 61.69 60.49 2wdi s THR 146 Cb 0.07 -3.54 0.03 0.00 1.34 0.00 0.00 72.50 70.41 2wdi s THR 146 CO 0.62 0.34 1.65 1.55 -0.54 0.00 0.00 174.62 178.25 2wdi h PRO 147 N 7.40 0.83 0.00 3.99 0.13 -1.98 -3.45 132.00 138.93 2wdi h PRO 147 Ca -0.38 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2wdi h PRO 147 Cb 1.17 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2wdi h PRO 147 CO 0.68 0.80 0.00 0.41 -0.23 0.00 0.00 178.00 179.66 2wdi n GLY 148 N -0.59 0.90 0.00 1.56 0.00 -0.13 -5.05 105.19 101.88 2wdi n GLY 148 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2wdi n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdi n ARG 149 N -2.17 0.00 -5.24 1.61 1.85 -1.26 -5.06 116.66 106.38 2wdi n ARG 149 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 2wdi n ARG 149 Cb 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.24 2wdi n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wdi s VAL 150 N -2.89 2.03 0.24 8.89 1.01 -1.26 -4.67 120.40 123.75 2wdi s VAL 150 Ca 0.00 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 2wdi s VAL 150 Cb 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 36.38 34.50 2wdi s VAL 150 CO 0.00 0.56 0.94 -1.22 0.00 0.00 0.00 175.10 175.39 2wdi n TYR 151 N 3.05 0.91 0.01 5.22 4.01 -1.26 -4.86 117.16 124.24 2wdi n TYR 151 Ca -0.18 0.76 0.09 0.00 -0.16 0.00 0.00 57.90 58.41 2wdi n TYR 151 Cb 0.52 -2.19 0.52 0.00 -0.31 0.00 0.00 39.34 37.87 2wdi n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2wdi h LYS 152 N 2.08 0.34 -0.14 -0.72 1.63 -2.03 -2.19 116.57 115.55 2wdi h LYS 152 Ca -0.38 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2wdi h LYS 152 Cb 1.36 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2wdi h LYS 152 CO 0.62 0.23 0.00 0.41 -3.45 0.00 0.00 179.45 177.25 2wdi n GLY 153 N -1.52 0.58 2.38 5.01 0.00 -1.26 -5.00 105.19 105.37 2wdi n GLY 153 Ca 0.05 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 2wdi n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdi n LYS 154 N 0.65 0.00 -3.44 1.61 3.00 -0.83 -4.89 118.16 114.27 2wdi n LYS 154 Ca 0.17 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.11 2wdi n LYS 154 Cb 0.43 -0.71 -0.07 0.00 0.00 0.00 0.00 35.03 34.68 2wdi n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2wdi s LYS 155 N -0.68 4.20 0.28 1.64 1.02 -1.26 -5.06 119.74 119.89 2wdi s LYS 155 Ca 0.45 0.16 0.06 0.00 0.02 0.00 0.00 55.97 56.66 2wdi s LYS 155 Cb -0.66 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.13 2wdi s LYS 155 CO 0.39 0.06 0.21 -1.33 -0.92 0.00 0.00 175.35 173.76 2wdi n MET 156 N 4.16 0.38 -1.14 1.68 2.81 -1.26 -5.06 117.12 118.69 2wdi n MET 156 Ca -0.10 -2.75 -0.30 0.00 -1.81 0.00 0.00 57.70 52.75 2wdi n MET 156 Cb 0.51 2.13 0.23 0.00 -0.71 0.00 0.00 33.22 35.38 2wdi n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wdi s ALA 157 N -3.08 0.74 0.00 3.04 0.00 -1.26 -4.51 121.76 116.70 2wdi s ALA 157 Ca 0.30 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2wdi s ALA 157 Cb 0.01 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2wdi s ALA 157 CO 0.21 -3.40 0.00 0.41 0.00 0.00 0.00 175.76 172.98 2wdi n GLY 158 N -1.12 0.16 3.76 0.00 0.00 -0.69 -4.90 105.19 102.39 2wdi n GLY 158 Ca 0.12 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 2wdi n GLY 158 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wdi s HIS 159 N -2.39 3.24 -0.22 1.61 5.65 -1.26 -0.60 115.29 121.32 2wdi s HIS 159 Ca 0.00 1.41 -0.09 0.00 0.25 0.00 0.00 55.06 56.63 2wdi s HIS 159 Cb 0.00 -3.56 0.09 0.00 -1.18 0.00 0.00 32.58 27.93 2wdi s HIS 159 CO 0.00 -1.57 0.50 -0.47 -0.65 0.00 0.00 174.74 172.55 2wdi s TYR 160 N -0.72 -0.91 0.00 3.88 6.14 0.77 -4.85 117.35 121.67 2wdi s TYR 160 Ca 0.51 1.72 0.00 0.00 0.64 0.00 0.00 57.07 59.94 2wdi s TYR 160 Cb -0.37 0.44 0.00 0.00 0.42 0.00 0.00 41.96 42.45 2wdi s TYR 160 CO 0.45 -0.50 0.00 0.41 0.64 0.00 0.00 175.55 176.55 2wdi n GLY 161 N 5.04 0.48 0.72 8.97 0.00 -1.26 -0.44 105.19 118.69 2wdi n GLY 161 Ca -0.14 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.15 2wdi n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdi n ALA 162 N -0.85 0.15 -3.45 4.61 0.00 -1.04 -4.73 120.51 115.20 2wdi n ALA 162 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2wdi n ALA 162 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 2wdi n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2wdi s GLU 163 N 1.63 1.55 -0.61 0.00 -1.05 -1.26 -4.96 118.70 114.00 2wdi s GLU 163 Ca 0.27 -0.99 -0.27 0.00 -0.15 0.00 0.00 54.97 53.83 2wdi s GLU 163 Cb -0.21 0.54 0.01 0.00 -0.44 0.00 0.00 34.13 34.02 2wdi s GLU 163 CO 0.11 -0.67 1.47 0.50 0.95 0.00 0.00 175.26 177.62 2wdi s ARG 164 N -3.92 3.16 -0.24 -4.83 3.52 -1.26 -2.63 118.95 112.73 2wdi s ARG 164 Ca 0.13 0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 56.05 2wdi s ARG 164 Cb -0.02 -4.19 0.02 0.00 -1.56 0.00 0.00 34.95 29.20 2wdi s ARG 164 CO 0.03 -2.13 -0.05 0.08 -0.81 0.00 0.00 175.30 172.42 2wdi s VAL 165 N 6.55 3.06 -0.31 7.11 1.01 0.57 -4.95 120.40 133.44 2wdi s VAL 165 Ca 0.52 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 2wdi s VAL 165 Cb -0.11 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.83 2wdi s VAL 165 CO 0.22 0.26 0.00 -0.89 0.00 0.00 0.00 175.10 174.69 2wdi s THR 166 N 1.38 2.87 0.72 3.92 2.01 -1.26 -0.44 115.64 124.84 2wdi s THR 166 Ca 0.02 -1.52 -0.09 0.00 0.31 0.00 0.00 61.69 60.40 2wdi s THR 166 Cb -0.16 -2.70 0.05 0.00 0.01 0.00 0.00 72.50 69.69 2wdi s THR 166 CO -0.04 -0.17 1.06 0.54 -0.69 0.00 0.00 174.62 175.32 2wdi s VAL 167 N 1.21 2.65 0.22 3.82 0.11 0.02 -4.88 120.40 123.54 2wdi s VAL 167 Ca -0.04 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 2wdi s VAL 167 Cb -0.20 -3.17 -0.02 0.00 -1.53 0.00 0.00 36.38 31.46 2wdi s VAL 167 CO -0.02 -0.20 0.15 0.23 -3.33 0.00 0.00 175.10 171.93 2wdi n MET 168 N -3.01 0.36 -1.45 1.54 2.81 -1.26 -1.84 117.12 114.27 2wdi n MET 168 Ca 0.07 -2.08 0.00 0.00 -1.81 0.00 0.00 57.70 53.89 2wdi n MET 168 Cb 0.59 1.56 0.00 0.00 -0.71 0.00 0.00 33.22 34.67 2wdi n MET 168 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wdi n ASN 169 N -2.08 -0.45 -4.77 7.83 5.15 -1.15 -4.86 115.26 114.93 2wdi n ASN 169 Ca 0.03 0.22 -0.38 0.00 -0.60 0.00 0.00 54.58 53.85 2wdi n ASN 169 Cb 0.37 -0.56 -0.01 0.00 -0.53 0.00 0.00 39.78 39.05 2wdi n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wdi s LEU 170 N -2.70 4.15 -0.05 1.20 1.02 0.13 -4.55 118.68 117.87 2wdi s LEU 170 Ca 0.00 2.44 -0.26 0.00 0.02 0.00 0.00 54.13 56.33 2wdi s LEU 170 Cb 0.00 -4.05 -0.03 0.00 0.02 0.00 0.00 46.19 42.13 2wdi s LEU 170 CO 0.00 -0.81 0.80 -0.70 0.02 0.00 0.00 176.35 175.66 2wdi s GLU 171 N -2.39 4.47 0.13 1.70 2.12 -1.26 -0.51 118.70 122.96 2wdi s GLU 171 Ca 0.59 1.07 -0.30 0.00 0.36 0.00 0.00 54.97 56.69 2wdi s GLU 171 Cb -0.33 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.54 2wdi s GLU 171 CO 0.41 -0.00 0.99 0.08 -0.54 0.00 0.00 175.26 176.20 2wdi s VAL 172 N 0.96 4.36 0.11 3.70 1.01 -0.18 -3.05 120.40 127.32 2wdi s VAL 172 Ca 0.42 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.38 2wdi s VAL 172 Cb -0.19 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2wdi s VAL 172 CO 0.21 0.31 0.02 0.52 0.00 0.00 0.00 175.10 176.16 2wdi n VAL 173 N 2.71 0.00 -0.63 2.92 0.31 0.38 -1.02 118.33 123.01 2wdi n VAL 173 Ca 0.02 -0.52 -0.24 0.00 -0.01 0.00 0.00 64.34 63.59 2wdi n VAL 173 Cb 0.48 -0.01 -0.03 0.00 -0.91 0.00 0.00 33.84 33.37 2wdi n VAL 173 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wdi n ASP 174 N -1.27 0.30 -4.48 4.52 4.64 -1.26 -4.31 116.55 114.69 2wdi n ASP 174 Ca -0.04 0.44 -0.33 0.00 -1.38 0.00 0.00 54.79 53.48 2wdi n ASP 174 Cb 0.14 -0.34 -0.13 0.00 -1.04 0.00 0.00 41.12 39.76 2wdi n ASP 174 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2wdi s VAL 175 N 0.74 3.37 -0.82 5.18 -7.23 -1.26 -3.16 120.40 117.22 2wdi s VAL 175 Ca 0.38 -0.58 -0.08 0.00 -1.81 0.00 0.00 61.98 59.89 2wdi s VAL 175 Cb -0.53 -2.39 0.21 0.00 0.56 0.00 0.00 36.38 34.23 2wdi s VAL 175 CO 0.28 0.56 0.73 -0.63 -0.31 0.00 0.00 175.10 175.72 2wdi s ILE 176 N -0.25 4.97 0.49 -0.62 1.09 -0.77 -4.85 121.20 121.25 2wdi s ILE 176 Ca 0.02 -2.96 0.16 0.00 -1.10 0.00 0.00 60.65 56.78 2wdi s ILE 176 Cb -0.13 -4.09 0.31 0.00 -1.06 0.00 0.00 42.46 37.49 2wdi s ILE 176 CO 0.03 -1.02 2.07 1.55 -0.10 0.00 0.00 174.94 177.47 2wdi h PRO 177 N 7.14 0.15 -0.79 2.79 0.13 -1.96 0.11 132.00 139.58 2wdi h PRO 177 Ca 0.09 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 65.40 2wdi h PRO 177 Cb 0.96 -0.03 -0.14 0.00 0.13 0.00 0.00 31.00 31.92 2wdi h PRO 177 CO 0.79 0.10 0.04 1.49 -0.23 0.00 0.00 178.00 180.19 2wdi h GLU 178 N 0.16 0.11 -0.05 0.86 4.57 -1.95 -2.94 114.58 115.34 2wdi h GLU 178 Ca 0.13 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2wdi h GLU 178 Cb 0.31 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2wdi h GLU 178 CO -0.02 0.07 0.00 -1.91 -1.18 0.00 0.00 179.01 175.97 2wdi n GLU 179 N -5.34 0.59 -2.36 1.92 4.07 -0.40 -4.99 120.64 114.13 2wdi n GLU 179 Ca 0.15 -1.05 -0.07 0.00 -0.06 0.00 0.00 57.16 56.13 2wdi n GLU 179 Cb 0.52 -1.10 0.01 0.00 -0.06 0.00 0.00 31.44 30.81 2wdi n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2wdi n ASN 180 N 0.17 -2.93 -4.92 4.31 3.02 0.26 -4.91 115.26 110.26 2wdi n ASN 180 Ca 0.03 -0.06 -0.30 0.00 -0.03 0.00 0.00 54.58 54.23 2wdi n ASN 180 Cb 0.18 -2.02 -0.04 0.00 -0.61 0.00 0.00 39.78 37.29 2wdi n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wdi s LEU 181 N -2.39 4.28 -0.07 3.41 1.02 -0.75 -1.47 118.68 122.71 2wdi s LEU 181 Ca 0.06 0.41 -0.02 0.00 0.02 0.00 0.00 54.13 54.60 2wdi s LEU 181 Cb -0.03 -3.14 0.03 0.00 0.02 0.00 0.00 46.19 43.08 2wdi s LEU 181 CO 0.08 0.05 0.05 -0.22 0.02 0.00 0.00 176.35 176.33 2wdi s LEU 182 N -2.88 0.32 -0.16 1.79 2.96 -0.23 -1.85 118.68 118.63 2wdi s LEU 182 Ca 0.38 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 54.13 2wdi s LEU 182 Cb -0.12 -0.25 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 2wdi s LEU 182 CO 0.27 -0.25 0.14 -0.76 -1.32 0.00 0.00 176.35 174.43 2wdi s LEU 183 N 2.10 4.29 0.00 -0.68 1.02 -1.19 0.04 118.68 124.26 2wdi s LEU 183 Ca 0.04 0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.55 2wdi s LEU 183 Cb -0.13 -2.09 -0.00 0.00 0.02 0.00 0.00 46.19 43.99 2wdi s LEU 183 CO -0.04 0.28 0.03 0.52 0.02 0.00 0.00 176.35 177.16 2wdi n VAL 184 N 2.84 0.00 -2.08 -1.59 0.31 -0.66 -0.47 118.33 116.68 2wdi n VAL 184 Ca -0.18 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.32 2wdi n VAL 184 Cb 0.53 0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 2wdi n VAL 184 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wdi n LYS 185 N -0.14 3.50 0.00 5.55 4.76 -1.17 -2.01 118.16 128.65 2wdi n LYS 185 Ca -0.00 -3.19 0.00 0.00 -2.87 0.00 0.00 58.31 52.25 2wdi n LYS 185 Cb 0.11 -2.99 0.00 0.00 -1.84 0.00 0.00 35.03 30.30 2wdi n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdi n GLY 186 N 3.09 0.00 3.26 0.72 0.00 -0.83 -4.71 105.19 106.72 2wdi n GLY 186 Ca 0.47 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 2wdi n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdi n ALA 187 N 0.00 2.65 -3.92 4.61 0.00 -1.26 -4.39 120.51 118.19 2wdi n ALA 187 Ca 0.00 -3.16 -0.33 0.00 0.00 0.00 0.00 53.44 49.95 2wdi n ALA 187 Cb 0.00 -3.60 -0.16 0.00 0.00 0.00 0.00 19.45 15.69 2wdi n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdi s VAL 188 N 6.93 2.12 0.82 0.00 0.11 -1.26 -4.89 120.40 124.23 2wdi s VAL 188 Ca 0.62 -0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 58.64 2wdi s VAL 188 Cb 0.10 -1.88 0.14 0.00 -1.53 0.00 0.00 36.38 33.22 2wdi s VAL 188 CO 0.15 0.54 0.32 -0.81 -3.33 0.00 0.00 175.10 171.96 2wdi n PRO 189 N 4.42 -0.66 -0.89 1.54 -0.04 -1.26 -4.91 135.00 133.20 2wdi n PRO 189 Ca -0.21 -0.54 0.12 0.00 -0.04 0.00 0.00 63.50 62.84 2wdi n PRO 189 Cb 0.51 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 2wdi n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdi n GLY 190 N -0.48 -1.67 4.00 0.55 0.00 -1.23 -4.82 105.19 101.54 2wdi n GLY 190 Ca 0.05 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 2wdi n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wdi s PRO 191 N -1.78 2.81 1.10 1.61 0.04 -1.26 -4.66 135.00 132.85 2wdi s PRO 191 Ca 0.00 -1.26 -0.13 0.00 0.04 0.00 0.00 61.00 59.65 2wdi s PRO 191 Cb 0.00 -2.74 0.24 0.00 0.04 0.00 0.00 34.50 32.05 2wdi s PRO 191 CO 0.00 -0.27 1.06 -0.80 0.04 0.00 0.00 177.00 177.02 2wdi s ASN 192 N -4.34 1.66 0.00 6.66 0.02 -1.26 -2.17 114.94 115.51 2wdi s ASN 192 Ca 0.55 1.38 0.00 0.00 -1.02 0.00 0.00 52.86 53.77 2wdi s ASN 192 Cb -0.10 -2.11 0.00 0.00 0.02 0.00 0.00 41.25 39.06 2wdi s ASN 192 CO 0.33 -3.76 0.00 0.61 0.02 0.00 0.00 177.10 174.30 2wdi n GLY 193 N -0.01 0.00 3.97 0.66 0.00 0.35 -4.90 105.19 105.26 2wdi n GLY 193 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2wdi n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdi s GLY 194 N -1.96 1.76 -0.15 -0.02 0.00 -0.92 -4.81 107.32 101.22 2wdi s GLY 194 Ca 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 44.72 43.19 2wdi s GLY 194 CO 0.00 -0.88 -0.06 -2.27 0.00 0.00 0.00 173.10 169.89 2wdi s LEU 195 N -5.38 3.13 0.19 0.66 2.96 -1.26 -1.22 118.68 117.76 2wdi s LEU 195 Ca 0.68 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.49 2wdi s LEU 195 Cb -0.05 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 2wdi s LEU 195 CO 0.47 0.17 -0.14 0.68 -1.32 0.00 0.00 176.35 176.21 2wdi s VAL 196 N 0.37 1.60 -0.18 1.68 -7.23 0.49 -4.30 120.40 112.83 2wdi s VAL 196 Ca -0.06 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 57.94 2wdi s VAL 196 Cb -0.15 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 34.87 2wdi s VAL 196 CO 0.04 -0.62 0.01 0.27 -0.31 0.00 0.00 175.10 174.48 2wdi s ILE 197 N -3.00 0.71 0.24 -0.62 -4.36 -1.04 -1.73 121.20 111.40 2wdi s ILE 197 Ca 0.20 -0.55 -0.22 0.00 -0.26 0.00 0.00 60.65 59.83 2wdi s ILE 197 Cb -0.00 -1.09 -0.09 0.00 1.25 0.00 0.00 42.46 42.53 2wdi s ILE 197 CO 0.05 -0.07 0.79 -0.69 0.24 0.00 0.00 174.94 175.27 2wdi s VAL 198 N 1.78 4.44 0.34 8.37 1.01 -1.07 -2.84 120.40 132.44 2wdi s VAL 198 Ca -0.00 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 2wdi s VAL 198 Cb -0.16 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2wdi s VAL 198 CO -0.07 0.24 0.45 -0.13 0.00 0.00 0.00 175.10 175.59 2wdi s ARG 199 N -1.87 1.89 0.17 2.72 0.52 -0.92 -3.25 118.95 118.21 2wdi s ARG 199 Ca 0.44 -1.78 -0.15 0.00 -0.52 0.00 0.00 55.73 53.71 2wdi s ARG 199 Cb -0.18 0.43 -0.07 0.00 0.52 0.00 0.00 34.95 35.65 2wdi s ARG 199 CO 0.23 -0.77 0.59 -1.83 0.02 0.00 0.00 175.30 173.53 2wdi s GLU 200 N -3.10 4.03 1.25 3.54 1.03 -1.25 -1.76 118.70 122.43 2wdi s GLU 200 Ca 0.32 0.56 -0.21 0.00 0.03 0.00 0.00 54.97 55.67 2wdi s GLU 200 Cb -0.00 -2.91 0.31 0.00 -0.80 0.00 0.00 34.13 30.74 2wdi s GLU 200 CO 0.21 0.45 0.96 -2.37 -1.33 0.00 0.00 175.26 173.18 2wdi n THR 201 N 0.75 0.00 -1.62 1.83 5.66 -0.26 -4.49 114.28 116.15 2wdi n THR 201 Ca -0.04 -0.29 0.06 0.00 -3.05 0.00 0.00 64.05 60.72 2wdi n THR 201 Cb 0.52 -1.12 0.18 0.00 -1.55 0.00 0.00 70.33 68.35 2wdi n THR 201 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wdi n LYS 202 N -5.00 1.36 0.26 1.09 4.01 -1.26 -4.49 118.16 114.12 2wdi n LYS 202 Ca 0.14 -3.03 0.15 0.00 -0.51 0.00 0.00 58.31 55.06 2wdi n LYS 202 Cb 0.56 -1.42 0.62 0.00 -0.51 0.00 0.00 35.03 34.28 2wdi n LYS 202 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2wdi h LYS 203 N 0.83 0.00 0.00 1.97 5.09 -1.96 -3.34 116.57 119.16 2wdi h LYS 203 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2wdi h LYS 203 Cb 1.10 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.43 2wdi h LYS 203 CO 0.01 0.08 -0.94 0.00 -2.09 0.00 0.00 179.45 176.51 2wdi n ALA 204 N -2.15 2.67 0.00 0.07 0.00 -1.26 -5.25 120.51 114.59 2wdi n ALA 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdi n ALA 204 Cb 0.34 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.26 2wdi n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50