#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wp3 s GLY 2 N 0.00 2.04 -0.16 -0.13 0.00 -1.26 -4.27 107.32 103.54 2wp3 s GLY 2 Ca 0.00 -2.94 0.01 0.00 0.00 0.00 0.00 44.72 41.79 2wp3 s GLY 2 CO 0.00 2.10 -0.20 -0.42 0.00 0.00 0.00 173.10 174.58 2wp3 s ILE 3 N 2.52 2.00 0.78 0.90 -1.09 -0.85 -5.01 121.20 120.45 2wp3 s ILE 3 Ca 0.38 -0.91 -0.13 0.00 -2.23 0.00 0.00 60.65 57.76 2wp3 s ILE 3 Cb -0.03 -1.80 0.07 0.00 -1.58 0.00 0.00 42.46 39.11 2wp3 s ILE 3 CO -0.06 0.53 1.15 -2.16 -1.23 0.00 0.00 174.94 173.18 2wp3 s PRO 4 N 1.16 1.94 0.61 2.79 0.04 -1.26 -1.47 135.00 138.81 2wp3 s PRO 4 Ca 0.01 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 2wp3 s PRO 4 Cb -0.14 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2wp3 s PRO 4 CO -0.09 -1.94 1.13 -1.25 0.04 0.00 0.00 177.00 174.89 2wp3 s PRO 5 N -4.34 3.01 -0.04 0.56 0.05 -1.26 -4.48 135.00 128.50 2wp3 s PRO 5 Ca 0.68 1.52 -0.02 0.00 0.05 0.00 0.00 61.00 63.24 2wp3 s PRO 5 Cb -0.24 -1.97 0.03 0.00 0.05 0.00 0.00 34.50 32.38 2wp3 s PRO 5 CO 0.50 -1.11 0.06 0.21 0.05 0.00 0.00 177.00 176.72 2wp3 s LYS 6 N -3.71 -0.06 -0.15 4.56 2.47 -0.63 -4.44 119.74 117.78 2wp3 s LYS 6 Ca 0.70 0.37 -0.29 0.00 -1.56 0.00 0.00 55.97 55.19 2wp3 s LYS 6 Cb -0.23 -0.45 -0.01 0.00 -1.46 0.00 0.00 37.83 35.68 2wp3 s LYS 6 CO 0.35 -0.30 1.13 0.42 0.16 0.00 0.00 175.35 177.10 2wp3 s ILE 7 N 2.02 4.50 -0.04 5.43 1.01 -1.26 -1.09 121.20 131.77 2wp3 s ILE 7 Ca 0.03 1.81 -0.23 0.00 0.00 0.00 0.00 60.65 62.25 2wp3 s ILE 7 Cb -0.12 -4.16 -0.18 0.00 0.01 0.00 0.00 42.46 38.01 2wp3 s ILE 7 CO -0.03 -0.09 1.00 -0.33 0.00 0.00 0.00 174.94 175.48 2wp3 h GLU 8 N 7.58 -0.16 -1.68 2.79 4.39 -1.44 -3.47 114.58 122.58 2wp3 h GLU 8 Ca -0.27 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.50 2wp3 h GLU 8 Cb 1.11 0.04 -0.25 0.00 -0.10 0.00 0.00 28.75 29.55 2wp3 h GLU 8 CO 0.93 0.31 0.33 0.00 -1.16 0.00 0.00 179.01 179.41 2wp3 s ALA 9 N -3.84 -2.04 -0.02 3.43 0.00 -1.26 -5.07 121.76 112.95 2wp3 s ALA 9 Ca -0.14 2.10 0.01 0.00 0.00 0.00 0.00 51.96 53.92 2wp3 s ALA 9 Cb 0.01 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2wp3 s ALA 9 CO 0.54 -0.31 -0.02 -1.17 0.00 0.00 0.00 175.76 174.81 2wp3 s LEU 10 N 0.86 1.53 0.66 0.00 2.96 -1.26 -4.62 118.68 118.80 2wp3 s LEU 10 Ca -0.03 -0.04 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 2wp3 s LEU 10 Cb -0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.43 2wp3 s LEU 10 CO -0.11 -0.04 1.24 -2.65 -1.32 0.00 0.00 176.35 173.47 2wp3 n PRO 11 N 3.65 1.01 0.08 0.98 -0.02 -1.26 -4.92 135.00 134.51 2wp3 n PRO 11 Ca -0.21 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.57 2wp3 n PRO 11 Cb 0.54 -2.47 -0.13 0.00 -0.02 0.00 0.00 33.50 31.42 2wp3 n PRO 11 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wp3 h SER 12 N 0.41 0.17 -3.69 2.55 4.64 -1.95 -3.39 113.55 112.29 2wp3 h SER 12 Ca -0.50 -0.19 -0.19 0.00 -0.47 0.00 0.00 61.79 60.44 2wp3 h SER 12 Cb 1.34 -0.06 -0.27 0.00 -0.31 0.00 0.00 62.40 63.10 2wp3 h SER 12 CO 0.52 1.15 -0.50 -1.81 -0.87 0.00 0.00 176.83 175.32 2wp3 s ASP 13 N -6.89 -0.21 0.05 4.97 1.11 -1.26 -0.83 116.67 113.62 2wp3 s ASP 13 Ca -0.01 0.41 -0.02 0.00 0.18 0.00 0.00 52.55 53.11 2wp3 s ASP 13 Cb 0.09 0.39 -0.03 0.00 1.07 0.00 0.00 42.92 44.43 2wp3 s ASP 13 CO 0.85 -0.09 0.01 0.27 1.18 0.00 0.00 175.17 177.38 2wp3 s ILE 14 N 0.39 0.20 0.05 0.77 -4.36 -0.34 -4.93 121.20 112.98 2wp3 s ILE 14 Ca -0.02 -1.61 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 2wp3 s ILE 14 Cb -0.04 -1.35 -0.03 0.00 1.25 0.00 0.00 42.46 42.29 2wp3 s ILE 14 CO -0.02 -0.89 -0.07 -0.44 0.24 0.00 0.00 174.94 173.77 2wp3 s SER 15 N -2.74 0.82 -0.05 4.36 0.01 -1.26 -1.08 113.70 113.76 2wp3 s SER 15 Ca 0.04 -0.66 -0.19 0.00 1.31 0.00 0.00 55.95 56.45 2wp3 s SER 15 Cb 0.06 0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.39 2wp3 s SER 15 CO -0.09 -0.29 0.43 -0.51 0.41 0.00 0.00 173.24 173.19 2wp3 s ILE 16 N -1.97 0.03 0.22 1.44 1.10 -0.93 -4.97 121.20 116.13 2wp3 s ILE 16 Ca -0.05 -0.27 -0.18 0.00 -0.51 0.00 0.00 60.65 59.63 2wp3 s ILE 16 Cb -0.06 -0.71 -0.08 0.00 0.15 0.00 0.00 42.46 41.76 2wp3 s ILE 16 CO -0.01 -0.15 0.69 -1.81 -2.11 0.00 0.00 174.94 171.55 2wp3 s ASP 17 N -1.00 6.99 0.16 4.50 1.01 -1.26 -1.13 116.67 125.93 2wp3 s ASP 17 Ca -0.10 1.34 -0.34 0.00 0.71 0.00 0.00 52.55 54.16 2wp3 s ASP 17 Cb -0.04 -2.39 -0.15 0.00 1.01 0.00 0.00 42.92 41.35 2wp3 s ASP 17 CO 0.05 0.02 1.33 1.21 0.21 0.00 0.00 175.17 178.00 2wp3 n GLU 18 N 0.64 1.48 -0.15 8.23 2.13 -0.97 -2.59 120.64 129.41 2wp3 n GLU 18 Ca -0.02 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.33 2wp3 n GLU 18 Cb 0.51 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2wp3 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wp3 n GLY 19 N 2.44 0.75 4.01 8.31 0.00 0.10 -4.91 105.19 115.89 2wp3 n GLY 19 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2wp3 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wp3 s LYS 20 N -0.71 2.33 -0.20 1.61 -0.14 -1.07 -4.38 119.74 117.18 2wp3 s LYS 20 Ca 0.00 -1.68 -0.09 0.00 -1.36 0.00 0.00 55.97 52.84 2wp3 s LYS 20 Cb 0.00 -2.56 -0.05 0.00 -1.68 0.00 0.00 37.83 33.54 2wp3 s LYS 20 CO 0.00 -0.77 0.11 0.08 -0.76 0.00 0.00 175.35 174.01 2wp3 s VAL 21 N -2.66 5.18 -0.13 3.17 1.01 -1.26 -1.16 120.40 124.54 2wp3 s VAL 21 Ca 0.57 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 2wp3 s VAL 21 Cb -0.05 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2wp3 s VAL 21 CO 0.36 0.43 -0.05 -0.22 0.00 0.00 0.00 175.10 175.62 2wp3 s LEU 22 N 0.52 3.23 -0.12 3.92 2.96 -0.25 -4.98 118.68 123.95 2wp3 s LEU 22 Ca 0.06 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2wp3 s LEU 22 Cb -0.12 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.83 2wp3 s LEU 22 CO -0.00 0.22 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.19 2wp3 s THR 23 N 0.06 1.67 -0.11 3.68 2.01 -1.26 -0.45 115.64 121.25 2wp3 s THR 23 Ca -0.01 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.27 2wp3 s THR 23 Cb -0.14 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.87 2wp3 s THR 23 CO 0.03 0.48 -0.17 0.54 -0.69 0.00 0.00 174.62 174.80 2wp3 s VAL 24 N 0.99 1.62 0.08 3.82 0.11 -0.13 -5.00 120.40 121.89 2wp3 s VAL 24 Ca -0.05 -0.72 0.08 0.00 -2.93 0.00 0.00 61.98 58.36 2wp3 s VAL 24 Cb -0.15 -1.46 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 2wp3 s VAL 24 CO -0.03 0.46 -0.20 0.00 -3.33 0.00 0.00 175.10 172.01 2wp3 s ALA 25 N 0.86 2.57 -0.15 1.54 0.00 -1.26 -0.90 121.76 124.42 2wp3 s ALA 25 Ca -0.09 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.49 2wp3 s ALA 25 Cb -0.15 -0.64 0.06 0.00 0.00 0.00 0.00 23.12 22.39 2wp3 s ALA 25 CO -0.00 0.57 0.37 0.00 0.00 0.00 0.00 175.76 176.71 2wp3 s ALA 27 N 1.33 3.31 0.15 0.00 0.00 -1.26 -0.99 121.76 124.30 2wp3 s ALA 27 Ca -0.09 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 2wp3 s ALA 27 Cb -0.09 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2wp3 s ALA 27 CO -0.11 0.09 0.32 -0.59 0.00 0.00 0.00 175.76 175.47 2wp3 s PHE 28 N -2.25 0.21 0.31 0.00 -0.12 -0.76 -1.00 117.98 114.36 2wp3 s PHE 28 Ca 0.53 -0.58 0.04 0.00 -0.05 0.00 0.00 56.93 56.88 2wp3 s PHE 28 Cb -0.10 0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.28 2wp3 s PHE 28 CO 0.26 -0.72 0.03 0.95 -0.05 0.00 0.00 175.22 175.69 2wp3 s THR 29 N -3.92 1.25 0.00 -4.49 -4.23 -0.25 -4.62 115.64 99.38 2wp3 s THR 29 Ca 0.12 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 2wp3 s THR 29 Cb 0.03 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2wp3 s THR 29 CO -0.04 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 2wp3 n GLY 30 N -0.64 4.03 2.66 3.99 0.00 -1.26 -1.60 105.19 112.36 2wp3 n GLY 30 Ca -0.03 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 2wp3 n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wp3 s GLU 31 N -2.38 0.14 0.93 1.61 0.41 -0.54 -3.26 118.70 115.61 2wp3 s GLU 31 Ca 0.00 0.05 -0.11 0.00 -0.41 0.00 0.00 54.97 54.50 2wp3 s GLU 31 Cb 0.00 -1.36 0.11 0.00 -1.78 0.00 0.00 34.13 31.10 2wp3 s GLU 31 CO 0.00 -0.52 0.88 -2.30 -0.49 0.00 0.00 175.26 172.82 2wp3 n PRO 32 N 5.25 -0.39 -1.65 0.39 -0.02 -1.26 -2.01 135.00 135.31 2wp3 n PRO 32 Ca -0.06 -0.06 -0.51 0.00 -2.02 0.00 0.00 63.50 60.86 2wp3 n PRO 32 Cb 0.49 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 2wp3 n PRO 32 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2wp3 n THR 33 N -4.00 0.15 -2.21 3.45 -1.04 -1.20 -4.84 114.28 104.59 2wp3 n THR 33 Ca 0.10 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.75 2wp3 n THR 33 Cb 0.53 -1.28 -0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2wp3 n THR 33 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2wp3 s PRO 34 N 1.75 3.41 0.21 -2.82 0.04 -1.26 -4.91 135.00 131.41 2wp3 s PRO 34 Ca 0.87 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2wp3 s PRO 34 Cb -0.85 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.57 2wp3 s PRO 34 CO 0.48 -0.76 1.25 -2.00 0.04 0.00 0.00 177.00 176.01 2wp3 s GLU 35 N -3.66 4.45 -0.17 4.56 2.12 0.52 -4.85 118.70 121.68 2wp3 s GLU 35 Ca 0.67 1.97 -0.05 0.00 0.36 0.00 0.00 54.97 57.92 2wp3 s GLU 35 Cb -0.18 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 2wp3 s GLU 35 CO 0.30 -0.14 -0.01 0.08 -0.54 0.00 0.00 175.26 174.95 2wp3 s VAL 36 N -0.15 4.12 -0.09 3.70 1.01 -1.26 -1.94 120.40 125.80 2wp3 s VAL 36 Ca 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 2wp3 s VAL 36 Cb -0.35 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.23 2wp3 s VAL 36 CO 0.39 0.48 -0.04 -0.89 0.00 0.00 0.00 175.10 175.03 2wp3 s THR 37 N 0.42 0.74 -0.09 3.92 2.01 -0.49 -5.02 115.64 117.14 2wp3 s THR 37 Ca -0.02 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 2wp3 s THR 37 Cb -0.14 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2wp3 s THR 37 CO 0.02 0.32 0.12 0.26 -0.69 0.00 0.00 174.62 174.65 2wp3 s TRP 38 N 1.75 3.50 0.08 4.92 0.52 -1.26 -0.60 118.94 127.85 2wp3 s TRP 38 Ca 0.04 0.43 -0.13 0.00 0.02 0.00 0.00 56.10 56.46 2wp3 s TRP 38 Cb -0.13 -1.88 0.02 0.00 -1.15 0.00 0.00 33.47 30.33 2wp3 s TRP 38 CO -0.06 0.67 0.30 -1.54 0.02 0.00 0.00 176.95 176.33 2wp3 s SER 39 N -1.23 -0.08 -0.05 2.95 1.04 -0.22 -0.63 113.70 115.48 2wp3 s SER 39 Ca 0.18 -0.36 -0.06 0.00 0.48 0.00 0.00 55.95 56.19 2wp3 s SER 39 Cb -0.12 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2wp3 s SER 39 CO 0.07 -0.71 0.15 0.00 0.98 0.00 0.00 173.24 173.74 2wp3 n GLY 41 N 2.75 0.18 2.35 0.00 0.00 -1.26 -1.74 105.19 107.47 2wp3 n GLY 41 Ca -0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 2wp3 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wp3 n GLY 42 N -0.88 0.69 3.14 -0.02 0.00 -1.26 -5.01 105.19 101.85 2wp3 n GLY 42 Ca -0.23 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 2wp3 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wp3 s ARG 43 N -1.83 2.64 0.32 1.61 0.52 -0.71 -5.11 118.95 116.39 2wp3 s ARG 43 Ca 0.00 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.19 2wp3 s ARG 43 Cb 0.00 -2.11 -0.12 0.00 0.52 0.00 0.00 34.95 33.24 2wp3 s ARG 43 CO 0.00 0.04 1.44 1.17 0.02 0.00 0.00 175.30 177.97 2wp3 n LYS 44 N 3.89 2.41 -2.98 3.54 4.81 -1.26 -1.80 118.16 126.77 2wp3 n LYS 44 Ca -0.20 0.85 -0.41 0.00 -0.87 0.00 0.00 58.31 57.69 2wp3 n LYS 44 Cb 0.52 -2.54 -0.05 0.00 0.02 0.00 0.00 35.03 32.99 2wp3 n LYS 44 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wp3 s ILE 45 N -0.65 4.96 0.20 3.15 -1.09 0.20 -4.90 121.20 123.07 2wp3 s ILE 45 Ca 0.59 1.49 0.06 0.00 -2.23 0.00 0.00 60.65 60.57 2wp3 s ILE 45 Cb -0.54 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.23 2wp3 s ILE 45 CO 0.57 0.11 0.12 -1.00 -1.23 0.00 0.00 174.94 173.51 2wp3 s HIS 46 N 1.69 3.05 0.16 3.97 3.76 -1.26 -4.75 115.29 121.91 2wp3 s HIS 46 Ca 0.36 -0.08 -0.33 0.00 -0.15 0.00 0.00 55.06 54.86 2wp3 s HIS 46 Cb -0.17 -1.43 -0.13 0.00 1.11 0.00 0.00 32.58 31.96 2wp3 s HIS 46 CO 0.14 0.53 1.66 0.43 -0.85 0.00 0.00 174.74 176.64 2wp3 n SER 47 N -0.58 3.46 -2.06 1.40 7.64 -1.26 -1.56 113.62 120.65 2wp3 n SER 47 Ca -0.08 1.06 -0.21 0.00 1.01 0.00 0.00 58.87 60.66 2wp3 n SER 47 Cb 0.56 -1.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.24 2wp3 n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wp3 n GLN 48 N 3.92 -1.60 -1.72 1.43 6.02 0.10 -4.96 117.38 120.57 2wp3 n GLN 48 Ca 0.17 1.09 -0.43 0.00 -0.01 0.00 0.00 57.00 57.82 2wp3 n GLN 48 Cb 0.31 -5.64 -0.03 0.00 1.02 0.00 0.00 30.24 25.91 2wp3 n GLN 48 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wp3 n GLU 49 N -2.74 2.63 -1.37 -1.09 2.13 -0.60 -0.85 120.64 118.75 2wp3 n GLU 49 Ca -0.23 0.94 -0.14 0.00 0.66 0.00 0.00 57.16 58.40 2wp3 n GLU 49 Cb 0.68 -2.74 -0.06 0.00 0.27 0.00 0.00 31.44 29.59 2wp3 n GLU 49 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2wp3 n GLN 50 N 3.05 -1.55 -1.08 5.31 6.02 -1.26 -1.48 117.38 126.38 2wp3 n GLN 50 Ca 0.13 0.92 -0.03 0.00 -0.01 0.00 0.00 57.00 58.01 2wp3 n GLN 50 Cb 0.35 -5.24 -0.01 0.00 1.02 0.00 0.00 30.24 26.35 2wp3 n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wp3 n GLY 51 N -0.04 0.41 0.00 1.08 0.00 -0.03 -4.84 105.19 101.78 2wp3 n GLY 51 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2wp3 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wp3 n ARG 52 N -0.75 2.52 -3.32 1.61 1.74 -0.55 -4.99 116.66 112.92 2wp3 n ARG 52 Ca -0.03 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.68 2wp3 n ARG 52 Cb 0.36 -0.72 -0.06 0.00 -1.02 0.00 0.00 32.46 31.03 2wp3 n ARG 52 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wp3 s PHE 53 N -1.16 3.72 0.00 -1.55 0.40 -0.87 -1.32 117.98 117.19 2wp3 s PHE 53 Ca 0.00 1.17 -0.03 0.00 -0.60 0.00 0.00 56.93 57.47 2wp3 s PHE 53 Cb 0.00 -2.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 2wp3 s PHE 53 CO 0.00 0.52 0.04 -1.01 0.70 0.00 0.00 175.22 175.48 2wp3 s HIS 54 N -1.26 0.10 -0.13 0.36 3.76 0.39 0.03 115.29 118.55 2wp3 s HIS 54 Ca 0.32 -0.22 -0.00 0.00 -0.15 0.00 0.00 55.06 55.01 2wp3 s HIS 54 Cb -0.17 -0.09 0.03 0.00 1.11 0.00 0.00 32.58 33.45 2wp3 s HIS 54 CO 0.19 -0.17 -0.09 0.42 -0.85 0.00 0.00 174.74 174.24 2wp3 s ILE 55 N -1.01 1.15 -0.23 0.60 1.01 -1.26 -0.58 121.20 120.88 2wp3 s ILE 55 Ca -0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 2wp3 s ILE 55 Cb -0.07 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.28 2wp3 s ILE 55 CO 0.00 0.36 -0.10 -1.61 0.00 0.00 0.00 174.94 173.59 2wp3 s GLU 56 N 1.66 2.80 0.02 2.79 0.41 -0.25 -4.98 118.70 121.15 2wp3 s GLU 56 Ca 0.05 -0.99 0.06 0.00 -0.41 0.00 0.00 54.97 53.68 2wp3 s GLU 56 Cb -0.13 -2.88 -0.03 0.00 -1.78 0.00 0.00 34.13 29.32 2wp3 s GLU 56 CO -0.09 -0.38 -0.17 -0.80 -0.49 0.00 0.00 175.26 173.34 2wp3 s ASN 57 N 1.29 3.87 0.06 -0.19 0.01 -1.26 -0.85 114.94 117.87 2wp3 s ASN 57 Ca 0.00 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 2wp3 s ASN 57 Cb -0.16 -0.68 -0.00 0.00 0.41 0.00 0.00 41.25 40.82 2wp3 s ASN 57 CO -0.06 0.28 0.00 0.35 -1.51 0.00 0.00 177.10 176.16 2wp3 n THR 58 N 1.72 0.00 0.43 1.60 -2.24 0.16 -5.01 114.28 110.94 2wp3 n THR 58 Ca -0.16 -0.29 0.10 0.00 -2.27 0.00 0.00 64.05 61.43 2wp3 n THR 58 Cb 0.52 0.07 0.42 0.00 -2.10 0.00 0.00 70.33 69.24 2wp3 n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wp3 n ASP 59 N -1.27 0.41 -0.11 3.42 9.92 -1.26 -3.99 116.55 123.66 2wp3 n ASP 59 Ca -0.02 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 2wp3 n ASP 59 Cb 0.08 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 2wp3 n ASP 59 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2wp3 n ASP 60 N -1.95 0.00 -3.78 -2.24 5.68 -1.26 -4.91 116.55 108.09 2wp3 n ASP 60 Ca 0.03 -1.19 -0.13 0.00 -0.50 0.00 0.00 54.79 53.00 2wp3 n ASP 60 Cb 0.20 -0.04 -0.12 0.00 -1.14 0.00 0.00 41.12 40.02 2wp3 n ASP 60 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2wp3 s LEU 61 N 0.00 0.96 -0.06 -2.12 2.96 -1.26 -1.83 118.68 117.33 2wp3 s LEU 61 Ca 0.00 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.41 2wp3 s LEU 61 Cb 0.00 0.72 -0.00 0.00 0.50 0.00 0.00 46.19 47.41 2wp3 s LEU 61 CO 0.00 -0.10 -0.22 0.28 -1.32 0.00 0.00 176.35 174.99 2wp3 s THR 62 N 0.46 1.84 -0.11 3.68 -1.32 -0.16 0.35 115.64 120.38 2wp3 s THR 62 Ca -0.03 -0.93 0.01 0.00 -1.21 0.00 0.00 61.69 59.53 2wp3 s THR 62 Cb -0.04 -1.57 0.02 0.00 -1.51 0.00 0.00 72.50 69.39 2wp3 s THR 62 CO -0.02 0.51 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.89 2wp3 s THR 63 N 0.05 1.33 -0.21 5.08 2.01 -0.03 -0.78 115.64 123.09 2wp3 s THR 63 Ca -0.08 -0.52 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 2wp3 s THR 63 Cb -0.14 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 2wp3 s THR 63 CO 0.04 0.41 0.12 -0.22 -0.69 0.00 0.00 174.62 174.28 2wp3 s LEU 64 N 1.20 4.06 -0.13 4.42 2.96 -0.08 -1.09 118.68 130.02 2wp3 s LEU 64 Ca -0.03 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2wp3 s LEU 64 Cb -0.14 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.51 2wp3 s LEU 64 CO -0.04 0.15 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.35 2wp3 s ILE 65 N 0.56 1.58 -0.29 6.68 1.01 0.26 -0.96 121.20 130.04 2wp3 s ILE 65 Ca 0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 2wp3 s ILE 65 Cb -0.12 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 40.93 2wp3 s ILE 65 CO 0.00 0.46 0.00 -0.63 0.00 0.00 0.00 174.94 174.77 2wp3 s ILE 66 N 1.25 3.15 0.35 2.92 1.01 0.40 -0.46 121.20 129.83 2wp3 s ILE 66 Ca -0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 60.65 59.33 2wp3 s ILE 66 Cb -0.14 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.52 2wp3 s ILE 66 CO -0.07 -0.00 0.77 -0.04 0.00 0.00 0.00 174.94 175.60 2wp3 s MET 67 N 1.32 3.98 -1.29 2.79 -1.94 -0.43 -1.09 119.30 122.63 2wp3 s MET 67 Ca -0.02 0.67 -0.12 0.00 -1.71 0.00 0.00 55.69 54.51 2wp3 s MET 67 Cb -0.18 -2.39 0.00 0.00 2.01 0.00 0.00 34.83 34.26 2wp3 s MET 67 CO -0.01 0.09 0.57 -3.47 -0.01 0.00 0.00 175.02 172.19 2wp3 n ASP 68 N -0.60 -2.53 -4.69 3.03 2.03 -1.14 -4.72 116.55 107.92 2wp3 n ASP 68 Ca 0.04 -1.05 -0.43 0.00 0.52 0.00 0.00 54.79 53.86 2wp3 n ASP 68 Cb 0.53 -2.97 -0.02 0.00 -0.72 0.00 0.00 41.12 37.94 2wp3 n ASP 68 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2wp3 n VAL 69 N -4.40 1.34 -4.32 5.18 0.31 -0.31 -4.50 118.33 111.62 2wp3 n VAL 69 Ca -0.21 -0.33 -0.26 0.00 -0.01 0.00 0.00 64.34 63.53 2wp3 n VAL 69 Cb 0.64 -1.60 -0.09 0.00 -0.91 0.00 0.00 33.84 31.88 2wp3 n VAL 69 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2wp3 s GLN 70 N -0.95 2.02 0.33 5.55 -1.52 -1.26 0.02 119.66 123.85 2wp3 s GLN 70 Ca 0.63 -1.37 0.07 0.00 -1.95 0.00 0.00 55.36 52.74 2wp3 s GLN 70 Cb -0.59 -2.09 0.77 0.00 -0.22 0.00 0.00 33.01 30.87 2wp3 s GLN 70 CO 0.54 0.41 1.82 -0.22 -0.25 0.00 0.00 175.29 177.58 2wp3 h LYS 71 N 2.65 0.73 0.00 2.91 3.64 -1.97 -0.50 116.57 124.02 2wp3 h LYS 71 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2wp3 h LYS 71 Cb 1.22 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2wp3 h LYS 71 CO 0.56 0.48 0.00 0.00 -2.27 0.00 0.00 179.45 178.22 2wp3 n GLN 72 N -4.66 0.02 0.04 1.90 0.00 -1.26 -2.83 117.38 110.59 2wp3 n GLN 72 Ca 0.21 0.31 0.11 0.00 0.00 0.00 0.00 57.00 57.62 2wp3 n GLN 72 Cb 0.53 -1.54 0.46 0.00 0.00 0.00 0.00 30.24 29.68 2wp3 n GLN 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2wp3 n ASP 73 N -1.58 0.24 -4.74 2.61 8.00 -0.19 -4.87 116.55 116.01 2wp3 n ASP 73 Ca 0.03 0.54 -0.35 0.00 0.71 0.00 0.00 54.79 55.72 2wp3 n ASP 73 Cb 0.15 -0.60 0.06 0.00 -0.02 0.00 0.00 41.12 40.71 2wp3 n ASP 73 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wp3 s GLY 74 N -3.18 2.51 0.00 0.44 0.00 -1.13 -4.95 107.32 101.00 2wp3 s GLY 74 Ca 0.09 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.70 2wp3 s GLY 74 CO 0.42 1.28 0.00 0.61 0.00 0.00 0.00 173.10 175.41 2wp3 n GLY 75 N 0.30 0.12 3.51 0.20 0.00 -0.65 -4.99 105.19 103.69 2wp3 n GLY 75 Ca 0.13 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 2wp3 n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wp3 s LEU 76 N 0.00 4.39 0.12 0.99 2.96 -1.26 -0.90 118.68 124.98 2wp3 s LEU 76 Ca 0.00 -0.38 -0.16 0.00 -0.22 0.00 0.00 54.13 53.37 2wp3 s LEU 76 Cb 0.00 -2.78 -0.07 0.00 0.50 0.00 0.00 46.19 43.84 2wp3 s LEU 76 CO 0.00 -0.98 0.56 -0.31 -1.32 0.00 0.00 176.35 174.30 2wp3 s TYR 77 N 3.28 3.68 -0.09 5.38 1.51 0.14 -4.23 117.35 127.02 2wp3 s TYR 77 Ca 0.26 1.15 0.02 0.00 -1.01 0.00 0.00 57.07 57.49 2wp3 s TYR 77 Cb -0.14 -2.42 -0.02 0.00 -0.11 0.00 0.00 41.96 39.27 2wp3 s TYR 77 CO 0.19 0.48 -0.16 0.99 -1.11 0.00 0.00 175.55 175.94 2wp3 s THR 78 N -1.34 2.80 -0.23 -0.71 2.01 0.07 -0.82 115.64 117.42 2wp3 s THR 78 Ca 0.35 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 2wp3 s THR 78 Cb -0.17 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2wp3 s THR 78 CO 0.19 0.56 0.08 -0.22 -0.69 0.00 0.00 174.62 174.53 2wp3 s LEU 79 N -0.08 3.62 0.11 4.42 2.96 -0.29 -1.05 118.68 128.36 2wp3 s LEU 79 Ca -0.03 -0.09 0.09 0.00 -0.22 0.00 0.00 54.13 53.88 2wp3 s LEU 79 Cb -0.14 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2wp3 s LEU 79 CO 0.04 0.04 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.94 2wp3 s SER 80 N 1.18 2.82 -0.02 3.68 1.04 0.23 -1.49 113.70 121.14 2wp3 s SER 80 Ca 0.05 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.83 2wp3 s SER 80 Cb -0.14 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 2wp3 s SER 80 CO 0.04 0.11 -0.18 -0.76 0.98 0.00 0.00 173.24 173.43 2wp3 s LEU 81 N -1.91 2.02 0.01 2.42 1.43 -0.00 -1.40 118.68 121.25 2wp3 s LEU 81 Ca 0.09 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2wp3 s LEU 81 Cb -0.10 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2wp3 s LEU 81 CO 0.05 0.21 -0.01 -0.83 0.23 0.00 0.00 176.35 176.00 2wp3 s GLY 82 N -0.38 0.10 0.11 -3.19 0.00 -0.82 -1.46 107.32 101.68 2wp3 s GLY 82 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.62 2wp3 s GLY 82 CO -0.00 -0.19 0.11 1.16 0.00 0.00 0.00 173.10 174.17 2wp3 n ASN 83 N 2.68 -0.28 0.31 1.64 0.23 -0.53 -0.35 115.26 118.96 2wp3 n ASN 83 Ca -0.15 -1.73 0.19 0.00 -0.53 0.00 0.00 54.58 52.36 2wp3 n ASN 83 Cb 0.59 0.62 1.03 0.00 -2.08 0.00 0.00 39.78 39.94 2wp3 n ASN 83 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2wp3 h GLU 84 N 0.00 0.00 -0.01 -3.83 4.81 -1.91 -2.83 114.58 110.82 2wp3 h GLU 84 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2wp3 h GLU 84 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2wp3 h GLU 84 CO 0.12 0.00 -0.07 1.19 -0.73 0.00 0.00 179.01 179.52 2wp3 n PHE 85 N -2.88 0.00 -3.73 0.92 3.72 -1.26 -5.09 117.46 109.14 2wp3 n PHE 85 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2wp3 n PHE 85 Cb 0.12 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2wp3 n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wp3 n GLY 86 N 0.55 -0.62 3.38 1.37 0.00 -1.07 -4.43 105.19 104.38 2wp3 n GLY 86 Ca 0.03 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 2wp3 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wp3 s SER 87 N -4.00 -0.05 0.07 1.61 1.04 -1.26 -1.45 113.70 109.66 2wp3 s SER 87 Ca 0.00 -0.74 -0.11 0.00 0.48 0.00 0.00 55.95 55.58 2wp3 s SER 87 Cb 0.00 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2wp3 s SER 87 CO 0.00 -0.93 0.25 -0.62 0.98 0.00 0.00 173.24 172.92 2wp3 s ASP 88 N -2.93 -0.01 -0.03 7.02 2.15 -0.54 -4.76 116.67 117.57 2wp3 s ASP 88 Ca 0.14 -0.41 -0.19 0.00 0.43 0.00 0.00 52.55 52.52 2wp3 s ASP 88 Cb 0.02 0.35 0.04 0.00 -0.30 0.00 0.00 42.92 43.03 2wp3 s ASP 88 CO -0.02 -0.67 0.42 -0.94 -0.17 0.00 0.00 175.17 173.79 2wp3 s SER 89 N -2.42 -0.33 0.09 -0.34 1.04 -1.26 -0.82 113.70 109.65 2wp3 s SER 89 Ca -0.01 0.30 -0.14 0.00 0.48 0.00 0.00 55.95 56.58 2wp3 s SER 89 Cb 0.01 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.56 2wp3 s SER 89 CO -0.07 -0.48 0.32 0.00 0.98 0.00 0.00 173.24 174.00 2wp3 s ALA 90 N -1.21 -0.70 0.11 5.32 0.00 -0.56 -5.01 121.76 119.71 2wp3 s ALA 90 Ca -0.12 -0.14 0.10 0.00 0.00 0.00 0.00 51.96 51.79 2wp3 s ALA 90 Cb -0.04 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2wp3 s ALA 90 CO 0.06 -0.53 -0.25 0.95 0.00 0.00 0.00 175.76 175.98 2wp3 s THR 91 N -3.37 2.08 -0.06 0.00 -4.23 -1.26 -1.14 115.64 107.66 2wp3 s THR 91 Ca 0.01 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 2wp3 s THR 91 Cb 0.02 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 72.04 2wp3 s THR 91 CO -0.09 0.11 -0.07 0.54 -0.54 0.00 0.00 174.62 174.57 2wp3 s VAL 92 N -1.03 0.81 -0.39 2.29 0.11 0.00 -4.54 120.40 117.66 2wp3 s VAL 92 Ca 0.12 -0.26 -0.20 0.00 -2.93 0.00 0.00 61.98 58.71 2wp3 s VAL 92 Cb -0.10 -0.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2wp3 s VAL 92 CO 0.05 0.30 0.63 0.21 -3.33 0.00 0.00 175.10 172.96 2wp3 s ASN 93 N 1.03 6.38 -0.27 3.54 2.47 -0.01 -0.68 114.94 127.40 2wp3 s ASN 93 Ca -0.09 -0.03 -0.11 0.00 0.42 0.00 0.00 52.86 53.04 2wp3 s ASN 93 Cb -0.14 -2.32 -0.05 0.00 -1.45 0.00 0.00 41.25 37.29 2wp3 s ASN 93 CO -0.00 -0.66 0.21 -0.63 -3.72 0.00 0.00 177.10 172.30 2wp3 s ILE 94 N 2.74 5.30 -0.17 -5.21 1.01 -0.08 -1.20 121.20 123.60 2wp3 s ILE 94 Ca 0.24 0.22 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 2wp3 s ILE 94 Cb -0.14 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2wp3 s ILE 94 CO 0.16 0.25 -0.06 -1.00 0.00 0.00 0.00 174.94 174.29 2wp3 s HIS 95 N 1.72 2.95 -0.26 3.97 3.76 -0.24 -1.63 115.29 125.56 2wp3 s HIS 95 Ca 0.08 -0.58 -0.10 0.00 -0.15 0.00 0.00 55.06 54.32 2wp3 s HIS 95 Cb -0.16 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 2wp3 s HIS 95 CO 0.10 -0.24 0.15 0.42 -0.85 0.00 0.00 174.74 174.32 2wp3 s ILE 96 N 0.72 5.06 -0.16 0.60 -1.09 -1.26 -2.18 121.20 122.89 2wp3 s ILE 96 Ca -0.03 0.08 -0.20 0.00 -2.23 0.00 0.00 60.65 58.28 2wp3 s ILE 96 Cb -0.15 -3.38 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 2wp3 s ILE 96 CO 0.02 0.30 0.56 -0.13 -1.23 0.00 0.00 174.94 174.47 2wp3 s ARG 97 N 1.50 4.26 -1.40 2.79 0.52 -0.28 -4.96 118.95 121.38 2wp3 s ARG 97 Ca 0.07 0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 55.74 2wp3 s ARG 97 Cb -0.15 -3.52 0.07 0.00 0.52 0.00 0.00 34.95 31.86 2wp3 s ARG 97 CO 0.07 -0.08 2.48 0.45 0.02 0.00 0.00 175.30 178.25 2wp3 n SER 98 N 4.48 7.82 0.00 0.23 2.88 -1.26 -2.29 113.62 125.48 2wp3 n SER 98 Ca -0.04 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 2wp3 n SER 98 Cb 0.51 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2wp3 n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81