#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w5y s GLN 2 N 0.00 2.74 -0.21 0.54 0.74 -1.26 -5.12 119.66 117.10 1w5y s GLN 2 Ca 0.00 -0.74 -0.05 0.00 0.05 0.00 0.00 55.36 54.62 1w5y s GLN 2 Cb 0.00 -2.32 -0.02 0.00 1.10 0.00 0.00 33.01 31.77 1w5y s GLN 2 CO 0.00 -0.12 -0.01 0.42 -0.55 0.00 0.00 175.29 175.04 1w5y s ILE 3 N 1.09 3.84 0.60 -2.34 1.01 -1.26 -5.11 121.20 119.04 1w5y s ILE 3 Ca -0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 1w5y s ILE 3 Cb -0.14 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1w5y s ILE 3 CO -0.06 0.42 0.95 0.42 0.00 0.00 0.00 174.94 176.67 1w5y s THR 4 N 1.15 4.14 -0.23 2.92 -4.23 -1.26 -5.02 115.64 113.11 1w5y s THR 4 Ca 0.03 0.37 0.14 0.00 -1.18 0.00 0.00 61.69 61.04 1w5y s THR 4 Cb -0.14 -3.65 0.56 0.00 1.34 0.00 0.00 72.50 70.61 1w5y s THR 4 CO 0.01 -0.75 1.50 0.18 -0.54 0.00 0.00 174.62 175.01 1w5y n LEU 5 N -2.66 4.31 0.17 4.79 4.77 -1.26 -4.54 117.00 122.59 1w5y n LEU 5 Ca 0.05 -3.23 0.04 0.00 -0.03 0.00 0.00 56.01 52.83 1w5y n LEU 5 Cb 0.56 -0.60 0.44 0.00 -2.33 0.00 0.00 43.42 41.49 1w5y n LEU 5 CO 0.55 0.83 0.90 -0.50 -1.33 0.00 0.00 177.39 177.84 1w5y h TRP 6 N 1.75 0.13 -2.69 -1.77 4.06 -2.06 -3.43 115.95 111.93 1w5y h TRP 6 Ca 0.10 -0.01 -0.49 0.00 2.06 0.00 0.00 58.89 60.55 1w5y h TRP 6 Cb 1.65 -0.04 -0.14 0.00 -1.00 0.00 0.00 29.16 29.63 1w5y h TRP 6 CO 0.75 0.28 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.64 1w5y s GLN 7 N -4.69 1.65 0.26 0.49 1.11 -1.26 -5.11 119.66 112.12 1w5y s GLN 7 Ca -0.05 -1.90 -0.30 0.00 0.01 0.00 0.00 55.36 53.12 1w5y s GLN 7 Cb 0.16 -1.00 -0.11 0.00 -1.01 0.00 0.00 33.01 31.04 1w5y s GLN 7 CO 0.72 -0.12 1.59 1.03 0.01 0.00 0.00 175.29 178.52 1w5y s ARG 8 N -3.83 4.15 -1.27 2.91 0.52 -1.26 -4.87 118.95 115.29 1w5y s ARG 8 Ca 0.34 2.53 -0.19 0.00 -0.52 0.00 0.00 55.73 57.90 1w5y s ARG 8 Cb 0.08 -3.05 0.02 0.00 0.52 0.00 0.00 34.95 32.52 1w5y s ARG 8 CO 0.15 -0.62 1.85 -0.35 0.02 0.00 0.00 175.30 176.34 1w5y n PRO 9 N 2.62 2.73 -3.46 3.54 -0.04 -1.26 -4.95 135.00 134.17 1w5y n PRO 9 Ca 0.10 -2.96 -0.37 0.00 -0.04 0.00 0.00 63.50 60.22 1w5y n PRO 9 Cb 0.37 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.27 1w5y n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w5y s LEU 10 N 5.40 4.46 0.14 1.53 1.43 -1.26 -1.43 118.68 128.95 1w5y s LEU 10 Ca 0.57 1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 54.66 1w5y s LEU 10 Cb 0.05 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1w5y s LEU 10 CO 0.08 0.28 0.06 0.68 0.23 0.00 0.00 176.35 177.68 1w5y s VAL 11 N -1.16 0.13 -0.12 -1.59 -7.23 0.54 -4.96 120.40 106.02 1w5y s VAL 11 Ca 0.27 -1.92 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 1w5y s VAL 11 Cb -0.17 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1w5y s VAL 11 CO 0.15 -0.41 0.31 -0.89 -0.31 0.00 0.00 175.10 173.95 1w5y s THR 12 N -4.03 5.26 0.22 5.32 2.01 -1.26 -0.64 115.64 122.51 1w5y s THR 12 Ca 0.26 0.60 0.09 0.00 0.31 0.00 0.00 61.69 62.94 1w5y s THR 12 Cb 0.07 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1w5y s THR 12 CO 0.03 0.46 -0.17 0.27 -0.69 0.00 0.00 174.62 174.52 1w5y s ILE 13 N -0.07 1.95 -0.14 1.82 -4.36 0.35 -3.26 121.20 117.48 1w5y s ILE 13 Ca 0.19 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.39 1w5y s ILE 13 Cb -0.14 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.52 1w5y s ILE 13 CO 0.06 -0.48 -0.16 -0.75 0.24 0.00 0.00 174.94 173.85 1w5y s LYS 14 N -3.42 2.47 -0.08 0.37 2.20 -0.65 -1.10 119.74 119.52 1w5y s LYS 14 Ca 0.23 -0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 55.12 1w5y s LYS 14 Cb -0.03 -2.16 0.02 0.00 -1.51 0.00 0.00 37.83 34.15 1w5y s LYS 14 CO 0.09 -0.17 0.24 -1.50 -0.36 0.00 0.00 175.35 173.65 1w5y s ILE 15 N 1.27 0.01 -1.21 5.43 2.07 -0.16 -1.95 121.20 126.66 1w5y s ILE 15 Ca 0.01 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1w5y s ILE 15 Cb -0.14 -0.37 0.00 0.00 0.13 0.00 0.00 42.46 42.08 1w5y s ILE 15 CO -0.08 -0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.51 1w5y n GLY 16 N 2.70 -0.03 2.12 1.50 0.00 -1.26 -0.04 105.19 110.18 1w5y n GLY 16 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 1w5y n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w5y n GLY 17 N -0.67 0.49 3.15 -0.02 0.00 -1.26 -5.04 105.19 101.84 1w5y n GLY 17 Ca -0.15 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 1w5y n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w5y s GLN 18 N -3.26 0.93 -0.22 1.61 -0.21 0.95 -5.13 119.66 114.32 1w5y s GLN 18 Ca 0.00 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.47 1w5y s GLN 18 Cb 0.00 -0.94 -0.05 0.00 1.00 0.00 0.00 33.01 33.02 1w5y s GLN 18 CO 0.00 0.23 0.22 -0.51 -2.12 0.00 0.00 175.29 173.11 1w5y s LEU 19 N -1.24 4.14 0.18 2.90 1.43 -1.26 -0.99 118.68 123.85 1w5y s LEU 19 Ca 0.01 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1w5y s LEU 19 Cb -0.08 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1w5y s LEU 19 CO 0.01 0.05 0.02 -0.54 0.23 0.00 0.00 176.35 176.13 1w5y s LYS 20 N 0.98 1.11 -0.14 1.70 1.02 -0.26 -4.98 119.74 119.17 1w5y s LYS 20 Ca 0.11 -1.54 -0.06 0.00 0.02 0.00 0.00 55.97 54.50 1w5y s LYS 20 Cb -0.13 -0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 36.97 1w5y s LYS 20 CO 0.04 -0.18 0.05 -2.00 -0.92 0.00 0.00 175.35 172.35 1w5y s GLU 21 N -3.96 3.59 0.05 1.68 2.12 -1.26 -0.49 118.70 120.42 1w5y s GLU 21 Ca 0.26 -0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.23 1w5y s GLU 21 Cb 0.07 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 1w5y s GLU 21 CO 0.05 0.49 0.02 0.00 -0.54 0.00 0.00 175.26 175.28 1w5y s ALA 22 N -0.24 0.26 -0.17 6.30 0.00 0.19 -4.45 121.76 123.63 1w5y s ALA 22 Ca 0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1w5y s ALA 22 Cb -0.12 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1w5y s ALA 22 CO 0.02 -0.35 0.21 -1.17 0.00 0.00 0.00 175.76 174.46 1w5y s LEU 23 N -2.56 4.25 -0.50 0.00 2.96 -0.22 -0.34 118.68 122.27 1w5y s LEU 23 Ca 0.01 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 1w5y s LEU 23 Cb 0.03 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 44.53 1w5y s LEU 23 CO -0.08 0.17 1.18 -0.76 -1.32 0.00 0.00 176.35 175.55 1w5y s LEU 24 N 0.25 3.58 -0.35 -0.68 1.43 -0.51 -0.69 118.68 121.70 1w5y s LEU 24 Ca 0.13 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1w5y s LEU 24 Cb -0.12 -3.44 0.10 0.00 0.03 0.00 0.00 46.19 42.76 1w5y s LEU 24 CO 0.01 -1.34 0.08 -0.62 0.23 0.00 0.00 176.35 174.71 1w5y s ASP 25 N 2.77 4.84 0.23 2.29 -1.08 -0.45 -4.79 116.67 120.49 1w5y s ASP 25 Ca 0.48 -2.15 0.23 0.00 -0.52 0.00 0.00 52.55 50.59 1w5y s ASP 25 Cb -0.08 -1.66 0.94 0.00 -1.46 0.00 0.00 42.92 40.67 1w5y s ASP 25 CO 0.30 -0.40 1.68 0.35 0.52 0.00 0.00 175.17 177.62 1w5y n THR 26 N 4.29 0.85 1.24 1.71 -2.24 -1.26 -2.22 114.28 116.66 1w5y n THR 26 Ca 0.03 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.19 1w5y n THR 26 Cb 0.42 -1.16 0.47 0.00 -2.10 0.00 0.00 70.33 67.96 1w5y n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w5y n GLY 27 N -0.03 -0.93 3.64 3.38 0.00 -1.26 -4.80 105.19 105.19 1w5y n GLY 27 Ca 0.02 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1w5y n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w5y s ALA 28 N -2.62 3.58 0.20 4.61 0.00 -0.94 -4.98 121.76 121.61 1w5y s ALA 28 Ca 0.23 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 1w5y s ALA 28 Cb 0.19 -2.39 0.14 0.00 0.00 0.00 0.00 23.12 21.06 1w5y s ALA 28 CO 0.54 -0.31 1.64 -0.44 0.00 0.00 0.00 175.76 177.19 1w5y h ASP 29 N 7.77 0.92 -1.19 0.00 3.32 -1.87 0.03 116.42 125.40 1w5y h ASP 29 Ca -0.37 -0.29 -0.64 0.00 0.02 0.00 0.00 57.03 55.75 1w5y h ASP 29 Cb 1.17 -0.25 -0.13 0.00 0.22 0.00 0.00 39.33 40.35 1w5y h ASP 29 CO 0.63 1.04 -0.54 -1.81 -1.72 0.00 0.00 179.24 176.84 1w5y s ASP 30 N -6.67 3.79 -0.19 6.45 1.01 -1.26 -2.73 116.67 117.06 1w5y s ASP 30 Ca -0.10 -1.59 -0.08 0.00 0.71 0.00 0.00 52.55 51.49 1w5y s ASP 30 Cb 0.13 0.30 -0.04 0.00 1.01 0.00 0.00 42.92 44.32 1w5y s ASP 30 CO 0.85 -0.77 0.08 -0.89 0.21 0.00 0.00 175.17 174.64 1w5y s THR 31 N -2.92 4.87 -0.04 -1.27 2.01 -1.26 -3.26 115.64 113.77 1w5y s THR 31 Ca 0.16 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1w5y s THR 31 Cb 0.04 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1w5y s THR 31 CO 0.08 0.44 -0.05 0.54 -0.69 0.00 0.00 174.62 174.94 1w5y s VAL 32 N 0.52 0.56 0.19 3.82 0.11 -0.63 -0.65 120.40 124.32 1w5y s VAL 32 Ca 0.04 -0.14 0.11 0.00 -2.93 0.00 0.00 61.98 59.06 1w5y s VAL 32 Cb -0.13 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1w5y s VAL 32 CO 0.01 0.23 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.04 1w5y s LEU 33 N 0.87 2.56 0.91 2.54 1.43 0.49 -0.66 118.68 126.81 1w5y s LEU 33 Ca -0.12 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.08 1w5y s LEU 33 Cb -0.14 -1.29 0.14 0.00 0.03 0.00 0.00 46.19 44.93 1w5y s LEU 33 CO 0.00 0.12 1.15 -1.83 0.23 0.00 0.00 176.35 176.02 1w5y s GLU 34 N -2.71 1.08 -0.01 1.70 -1.05 -1.26 -1.67 118.70 114.78 1w5y s GLU 34 Ca 0.22 1.54 -0.39 0.00 -0.15 0.00 0.00 54.97 56.19 1w5y s GLU 34 Cb -0.08 -1.73 -0.18 0.00 -0.44 0.00 0.00 34.13 31.69 1w5y s GLU 34 CO 0.11 -2.59 1.24 0.39 0.95 0.00 0.00 175.26 175.36 1w5y n GLU 35 N -4.19 0.53 -3.77 -4.83 -0.58 -1.19 -4.57 120.64 102.04 1w5y n GLU 35 Ca 0.12 0.19 -0.04 0.00 -0.42 0.00 0.00 57.16 57.01 1w5y n GLU 35 Cb 0.52 -1.76 -0.01 0.00 -0.57 0.00 0.00 31.44 29.62 1w5y n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1w5y s MET 36 N 0.53 1.26 -0.22 3.49 0.23 -1.26 -5.03 119.30 118.30 1w5y s MET 36 Ca 0.89 -0.70 -0.10 0.00 -1.03 0.00 0.00 55.69 54.75 1w5y s MET 36 Cb -1.14 0.43 -0.05 0.00 -1.53 0.00 0.00 34.83 32.54 1w5y s MET 36 CO 0.55 -0.58 0.14 0.45 -2.03 0.00 0.00 175.02 173.55 1w5y s SER 37 N -2.95 6.14 0.08 -1.18 0.15 -1.26 -5.05 113.70 109.63 1w5y s SER 37 Ca 0.12 0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.99 1w5y s SER 37 Cb -0.02 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.17 1w5y s SER 37 CO 0.03 0.13 -0.14 -0.76 1.20 0.00 0.00 173.24 173.70 1w5y s LEU 38 N 0.69 2.32 0.64 3.45 1.43 -1.26 -5.00 118.68 120.95 1w5y s LEU 38 Ca 0.08 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 1w5y s LEU 38 Cb -0.12 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1w5y s LEU 38 CO 0.01 -0.11 1.05 -2.16 0.23 0.00 0.00 176.35 175.37 1w5y s PRO 39 N -2.05 3.39 0.00 1.29 0.04 -1.26 -4.96 135.00 131.45 1w5y s PRO 39 Ca 0.01 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1w5y s PRO 39 Cb -0.08 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1w5y s PRO 39 CO 0.02 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1w5y n GLY 40 N -2.73 -0.05 3.88 0.56 0.00 -1.26 -4.97 105.19 100.61 1w5y n GLY 40 Ca 0.06 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 1w5y n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w5y s ARG 41 N -1.55 3.73 0.26 1.61 3.52 -1.26 -5.09 118.95 120.18 1w5y s ARG 41 Ca 0.00 0.48 0.04 0.00 -0.13 0.00 0.00 55.73 56.12 1w5y s ARG 41 Cb 0.00 -2.34 -0.06 0.00 -1.56 0.00 0.00 34.95 30.99 1w5y s ARG 41 CO 0.00 -0.13 0.00 1.67 -0.81 0.00 0.00 175.30 176.04 1w5y s TRP 42 N -2.52 1.72 -0.01 5.12 1.48 -1.26 -4.70 118.94 118.78 1w5y s TRP 42 Ca 0.51 -0.90 0.04 0.00 -1.06 0.00 0.00 56.10 54.70 1w5y s TRP 42 Cb -0.10 -1.02 -0.01 0.00 -1.16 0.00 0.00 33.47 31.17 1w5y s TRP 42 CO 0.35 0.02 -0.13 0.15 -4.06 0.00 0.00 176.95 173.28 1w5y s LYS 43 N -3.85 1.07 0.39 3.25 1.02 -0.65 -4.90 119.74 116.07 1w5y s LYS 43 Ca 0.31 -0.50 -0.25 0.00 0.02 0.00 0.00 55.97 55.55 1w5y s LYS 43 Cb 0.06 -1.04 -0.09 0.00 -0.52 0.00 0.00 37.83 36.24 1w5y s LYS 43 CO 0.11 0.28 1.06 -1.25 -0.92 0.00 0.00 175.35 174.64 1w5y s PRO 44 N -0.39 4.19 0.07 -1.68 0.04 -1.26 0.17 135.00 136.14 1w5y s PRO 44 Ca 0.05 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 1w5y s PRO 44 Cb -0.05 -2.60 0.02 0.00 0.04 0.00 0.00 34.50 31.90 1w5y s PRO 44 CO -0.00 -0.13 0.30 0.21 0.04 0.00 0.00 177.00 177.41 1w5y s LYS 45 N -2.40 0.87 -0.13 4.56 2.20 -0.68 -4.88 119.74 119.28 1w5y s LYS 45 Ca 0.57 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 1w5y s LYS 45 Cb -0.24 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1w5y s LYS 45 CO 0.30 -0.29 -0.22 1.41 -0.36 0.00 0.00 175.35 176.18 1w5y s MET 46 N -3.05 3.04 0.05 4.03 -2.45 -1.26 -0.81 119.30 118.85 1w5y s MET 46 Ca -0.02 -0.86 0.09 0.00 -1.25 0.00 0.00 55.69 53.66 1w5y s MET 46 Cb 0.01 -2.41 -0.03 0.00 1.25 0.00 0.00 34.83 33.65 1w5y s MET 46 CO -0.06 0.04 -0.26 0.96 1.05 0.00 0.00 175.02 176.75 1w5y s ILE 47 N 0.68 2.07 0.06 10.11 -4.36 -0.69 -4.94 121.20 124.13 1w5y s ILE 47 Ca -0.10 -1.36 0.09 0.00 -0.26 0.00 0.00 60.65 59.01 1w5y s ILE 47 Cb -0.16 -1.78 -0.03 0.00 1.25 0.00 0.00 42.46 41.74 1w5y s ILE 47 CO 0.01 0.34 -0.24 -0.83 0.24 0.00 0.00 174.94 174.46 1w5y s GLY 48 N -1.23 1.31 0.00 6.27 0.00 -1.26 -1.27 107.32 111.14 1w5y s GLY 48 Ca 0.11 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1w5y s GLY 48 CO 0.02 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.60 1w5y n GLY 49 N 1.65 4.61 3.71 0.20 0.00 -0.42 -4.98 105.19 109.97 1w5y n GLY 49 Ca -0.17 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1w5y n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w5y s ILE 50 N 0.22 3.50 0.00 -0.61 1.09 -1.26 -2.64 121.20 121.50 1w5y s ILE 50 Ca 0.00 1.04 0.00 0.00 -1.10 0.00 0.00 60.65 60.59 1w5y s ILE 50 Cb 0.00 -3.67 0.00 0.00 -1.06 0.00 0.00 42.46 37.73 1w5y s ILE 50 CO 0.00 0.06 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 1w5y n GLY 51 N 3.50 3.41 0.00 6.18 0.00 -1.26 -4.96 105.19 112.05 1w5y n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1w5y n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w5y n GLY 52 N -1.76 0.71 3.76 -0.02 0.00 -1.08 -5.10 105.19 101.70 1w5y n GLY 52 Ca 0.00 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 1w5y n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w5y s PHE 53 N -1.59 3.02 0.03 1.61 0.40 -1.26 -1.30 117.98 118.89 1w5y s PHE 53 Ca 0.00 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1w5y s PHE 53 Cb 0.00 -1.41 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 1w5y s PHE 53 CO 0.00 0.53 -0.05 0.96 0.70 0.00 0.00 175.22 177.36 1w5y s ILE 54 N -1.95 0.34 -0.11 0.64 -4.36 -0.40 -4.96 121.20 110.40 1w5y s ILE 54 Ca 0.31 -1.06 -0.18 0.00 -0.26 0.00 0.00 60.65 59.47 1w5y s ILE 54 Cb -0.09 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 43.06 1w5y s ILE 54 CO 0.22 -0.47 0.46 -0.75 0.24 0.00 0.00 174.94 174.64 1w5y s LYS 55 N -1.68 4.31 0.25 0.37 2.20 -1.26 -1.71 119.74 122.22 1w5y s LYS 55 Ca -0.11 0.42 0.04 0.00 -0.36 0.00 0.00 55.97 55.95 1w5y s LYS 55 Cb -0.09 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1w5y s LYS 55 CO -0.01 0.20 -0.00 0.14 -0.36 0.00 0.00 175.35 175.33 1w5y s VAL 56 N 0.48 1.13 -0.19 4.02 -7.23 0.01 -4.51 120.40 114.12 1w5y s VAL 56 Ca 0.25 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1w5y s VAL 56 Cb -0.15 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1w5y s VAL 56 CO 0.10 -0.27 0.05 -0.13 -0.31 0.00 0.00 175.10 174.54 1w5y s ARG 57 N -3.85 3.87 -0.25 4.82 0.52 0.43 -1.69 118.95 122.81 1w5y s ARG 57 Ca 0.30 -0.40 -0.13 0.00 -0.52 0.00 0.00 55.73 54.98 1w5y s ARG 57 Cb 0.06 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 1w5y s ARG 57 CO 0.10 0.17 0.30 -1.14 0.02 0.00 0.00 175.30 174.75 1w5y s GLN 58 N 0.64 4.06 -0.08 3.54 0.74 0.13 -0.99 119.66 127.69 1w5y s GLN 58 Ca 0.03 -0.05 0.04 0.00 0.05 0.00 0.00 55.36 55.42 1w5y s GLN 58 Cb -0.13 -3.60 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 1w5y s GLN 58 CO 0.02 -0.12 -0.19 0.71 -0.55 0.00 0.00 175.29 175.15 1w5y s TYR 59 N 1.59 2.62 0.34 1.67 1.51 -0.33 -1.64 117.35 123.11 1w5y s TYR 59 Ca 0.13 -0.59 0.08 0.00 -1.01 0.00 0.00 57.07 55.67 1w5y s TYR 59 Cb -0.15 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1w5y s TYR 59 CO 0.08 -0.14 0.24 -0.51 -1.11 0.00 0.00 175.55 174.12 1w5y s ASP 60 N -0.11 5.09 -1.37 2.29 1.01 -1.26 -0.66 116.67 121.66 1w5y s ASP 60 Ca -0.03 -0.58 -0.08 0.00 0.71 0.00 0.00 52.55 52.56 1w5y s ASP 60 Cb -0.14 -0.90 0.03 0.00 1.01 0.00 0.00 42.92 42.92 1w5y s ASP 60 CO 0.04 -0.33 1.04 0.00 0.21 0.00 0.00 175.17 176.13 1w5y n GLN 61 N -1.30 -6.74 -3.71 8.23 3.00 -1.23 -4.94 117.38 110.70 1w5y n GLN 61 Ca -0.02 0.75 -0.36 0.00 -0.01 0.00 0.00 57.00 57.35 1w5y n GLN 61 Cb 0.60 -5.69 -0.07 0.00 0.00 0.00 0.00 30.24 25.08 1w5y n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1w5y s ILE 62 N -3.36 5.37 -0.12 5.09 -1.09 -0.64 -4.86 121.20 121.58 1w5y s ILE 62 Ca 0.44 0.36 -0.18 0.00 -2.23 0.00 0.00 60.65 59.04 1w5y s ILE 62 Cb -0.20 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 1w5y s ILE 62 CO 0.77 0.50 0.47 -0.22 -1.23 0.00 0.00 174.94 175.24 1w5y s LEU 63 N -0.24 4.27 0.01 2.97 2.96 -1.26 -2.07 118.68 125.31 1w5y s LEU 63 Ca 0.14 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.87 1w5y s LEU 63 Cb -0.12 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 1w5y s LEU 63 CO 0.03 -0.01 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.35 1w5y s ILE 64 N 0.69 0.57 -0.24 6.68 1.01 0.26 -4.58 121.20 125.59 1w5y s ILE 64 Ca 0.26 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1w5y s ILE 64 Cb -0.15 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 1w5y s ILE 64 CO 0.10 0.02 0.01 -1.61 0.00 0.00 0.00 174.94 173.46 1w5y s GLU 65 N -0.53 3.44 -0.31 2.79 2.02 -0.82 -0.23 118.70 125.05 1w5y s GLU 65 Ca -0.00 -0.60 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 1w5y s GLU 65 Cb -0.05 -3.15 0.05 0.00 0.10 0.00 0.00 34.13 31.08 1w5y s GLU 65 CO 0.00 -0.22 0.03 0.42 0.02 0.00 0.00 175.26 175.51 1w5y s ILE 66 N 1.52 3.19 -1.51 -1.63 1.01 0.14 -1.64 121.20 122.29 1w5y s ILE 66 Ca 0.06 -1.32 -0.11 0.00 0.00 0.00 0.00 60.65 59.27 1w5y s ILE 66 Cb -0.15 -2.83 0.08 0.00 0.01 0.00 0.00 42.46 39.57 1w5y s ILE 66 CO -0.00 -0.13 0.88 0.00 0.00 0.00 0.00 174.94 175.69 1w5y n GLY 68 N -1.66 1.17 3.64 0.00 0.00 -1.26 -5.03 105.19 102.04 1w5y n GLY 68 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1w5y n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w5y s HIS 69 N -3.28 3.27 -0.00 1.61 4.02 0.13 -5.08 115.29 115.95 1w5y s HIS 69 Ca 0.00 0.09 -0.25 0.00 1.02 0.00 0.00 55.06 55.91 1w5y s HIS 69 Cb 0.00 -2.13 -0.04 0.00 -1.02 0.00 0.00 32.58 29.39 1w5y s HIS 69 CO 0.00 0.12 0.78 0.15 1.02 0.00 0.00 174.74 176.81 1w5y s LYS 70 N 0.56 4.49 0.02 1.40 1.02 -1.26 0.25 119.74 126.22 1w5y s LYS 70 Ca 0.04 1.07 0.01 0.00 0.02 0.00 0.00 55.97 57.11 1w5y s LYS 70 Cb -0.13 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 1w5y s LYS 70 CO 0.01 0.14 -0.04 0.00 -0.92 0.00 0.00 175.35 174.54 1w5y s ALA 71 N 0.45 0.28 -0.02 5.17 0.00 0.67 -4.88 121.76 123.42 1w5y s ALA 71 Ca 0.41 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.85 1w5y s ALA 71 Cb -0.20 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1w5y s ALA 71 CO 0.22 -0.08 -0.18 0.42 0.00 0.00 0.00 175.76 176.14 1w5y s ILE 72 N -1.21 1.46 -1.42 0.00 1.01 -1.26 -0.58 121.20 119.19 1w5y s ILE 72 Ca -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1w5y s ILE 72 Cb -0.09 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1w5y s ILE 72 CO -0.00 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1w5y n GLY 73 N 2.79 -1.41 3.75 6.18 0.00 -0.88 -4.95 105.19 110.67 1w5y n GLY 73 Ca -0.16 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 1w5y n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w5y s THR 74 N -2.62 3.93 -0.06 2.61 2.01 -1.26 -1.62 115.64 118.63 1w5y s THR 74 Ca 0.00 1.83 0.02 0.00 0.31 0.00 0.00 61.69 63.85 1w5y s THR 74 Cb 0.00 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.36 1w5y s THR 74 CO 0.00 0.39 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.51 1w5y s VAL 75 N -0.81 1.08 -0.00 3.82 1.01 0.17 -4.48 120.40 121.19 1w5y s VAL 75 Ca 0.45 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1w5y s VAL 75 Cb -0.28 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1w5y s VAL 75 CO 0.35 0.34 0.11 -0.76 0.00 0.00 0.00 175.10 175.13 1w5y s LEU 76 N 0.54 4.02 -0.08 3.92 1.43 0.17 -1.18 118.68 127.51 1w5y s LEU 76 Ca -0.12 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1w5y s LEU 76 Cb -0.14 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.72 1w5y s LEU 76 CO 0.03 0.26 -0.11 -0.69 0.23 0.00 0.00 176.35 176.07 1w5y s VAL 77 N -1.24 1.10 0.00 -1.59 1.01 -0.16 -0.38 120.40 119.14 1w5y s VAL 77 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1w5y s VAL 77 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1w5y s VAL 77 CO 0.16 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1w5y n GLY 78 N 4.07 0.62 2.34 4.51 0.00 -0.67 -0.42 105.19 115.63 1w5y n GLY 78 Ca -0.21 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 1w5y n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1w5y n PRO 79 N 0.00 2.08 -3.10 1.61 -0.04 -1.26 -3.14 135.00 131.15 1w5y n PRO 79 Ca 0.00 -1.25 -0.39 0.00 -0.04 0.00 0.00 63.50 61.82 1w5y n PRO 79 Cb 0.00 -2.24 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 1w5y n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1w5y s THR 80 N 2.34 4.52 0.05 0.52 -1.32 -1.26 -4.96 115.64 115.52 1w5y s THR 80 Ca 0.49 1.48 0.33 0.00 -1.21 0.00 0.00 61.69 62.78 1w5y s THR 80 Cb 0.17 -4.02 0.36 0.00 -1.51 0.00 0.00 72.50 67.50 1w5y s THR 80 CO -0.02 0.50 1.97 1.55 -2.21 0.00 0.00 174.62 176.41 1w5y h PRO 81 N 4.30 0.00 -2.94 7.08 0.13 -1.98 -3.43 132.00 135.15 1w5y h PRO 81 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1w5y h PRO 81 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1w5y h PRO 81 CO 0.65 0.00 -0.18 0.54 -0.23 0.00 0.00 178.00 178.78 1w5y s VAL 82 N -3.66 0.05 0.09 1.56 0.11 -1.26 -5.10 120.40 112.20 1w5y s VAL 82 Ca 0.01 -0.44 -0.31 0.00 -2.93 0.00 0.00 61.98 58.31 1w5y s VAL 82 Cb 0.09 -0.78 -0.07 0.00 -1.53 0.00 0.00 36.38 34.10 1w5y s VAL 82 CO 0.47 -0.24 1.25 0.20 -3.33 0.00 0.00 175.10 173.45 1w5y s ASN 83 N -1.56 7.01 -0.13 3.54 0.01 -1.26 -4.75 114.94 117.80 1w5y s ASN 83 Ca -0.10 2.13 0.03 0.00 -0.71 0.00 0.00 52.86 54.20 1w5y s ASN 83 Cb -0.03 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.06 1w5y s ASN 83 CO 0.03 -0.50 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.27 1w5y s ILE 84 N 0.91 1.93 -0.40 0.60 1.01 0.16 -1.06 121.20 124.35 1w5y s ILE 84 Ca 0.59 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 1w5y s ILE 84 Cb -0.32 -1.71 0.03 0.00 0.01 0.00 0.00 42.46 40.47 1w5y s ILE 84 CO 0.31 0.53 0.26 -0.63 0.00 0.00 0.00 174.94 175.41 1w5y s ILE 85 N 0.79 4.92 0.38 2.92 -1.09 0.13 -1.61 121.20 127.64 1w5y s ILE 85 Ca -0.08 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 57.54 1w5y s ILE 85 Cb -0.16 -3.77 0.07 0.00 -1.58 0.00 0.00 42.46 37.03 1w5y s ILE 85 CO -0.01 -0.31 0.52 0.61 -1.23 0.00 0.00 174.94 174.53 1w5y n GLY 86 N 5.08 1.01 0.37 6.18 0.00 -1.20 -1.33 105.19 115.29 1w5y n GLY 86 Ca -0.11 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 43.99 1w5y n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w5y h ARG 87 N 0.00 0.51 -0.03 1.61 3.08 -1.01 -1.29 114.38 117.26 1w5y h ARG 87 Ca -0.17 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.85 1w5y h ARG 87 Cb 0.68 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1w5y h ARG 87 CO 0.20 0.34 0.03 -2.95 -1.07 0.00 0.00 179.97 176.53 1w5y h ASN 88 N 0.53 0.00 0.00 7.04 -1.07 -1.78 -2.37 115.58 117.93 1w5y h ASN 88 Ca 0.36 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.53 1w5y h ASN 88 Cb 0.67 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.88 1w5y h ASN 88 CO -0.13 0.00 -1.83 0.18 0.07 0.00 0.00 177.43 175.73 1w5y n LEU 89 N -3.85 0.00 -0.06 6.14 4.77 -0.85 -4.45 117.00 118.70 1w5y n LEU 89 Ca -0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1w5y n LEU 89 Cb 0.12 0.27 0.35 0.00 -2.33 0.00 0.00 43.42 41.83 1w5y n LEU 89 CO 0.27 0.27 1.13 -0.07 -1.33 0.00 0.00 177.39 177.67 1w5y h LEU 90 N 0.00 0.58 -0.81 2.23 3.38 -1.01 -2.17 115.31 117.50 1w5y h LEU 90 Ca -0.30 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 1w5y h LEU 90 Cb 1.63 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 1w5y h LEU 90 CO 0.02 0.47 0.07 0.71 0.09 0.00 0.00 178.44 179.79 1w5y h THR 91 N 0.67 1.25 0.00 0.22 1.35 -1.66 -1.75 112.91 112.99 1w5y h THR 91 Ca 0.17 -1.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.00 1w5y h THR 91 Cb 0.01 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1w5y h THR 91 CO -0.03 0.37 -0.13 1.56 -0.25 0.00 0.00 175.52 177.04 1w5y h GLN 92 N 0.90 0.00 -0.25 4.72 1.08 -1.61 -1.59 115.11 118.37 1w5y h GLN 92 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1w5y h GLN 92 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1w5y h GLN 92 CO 0.01 0.13 0.00 0.44 -0.95 0.00 0.00 178.83 178.46 1w5y n ILE 93 N -3.80 0.31 -2.53 2.54 -5.35 -1.12 -4.95 119.36 104.47 1w5y n ILE 93 Ca -0.02 -0.59 -0.08 0.00 -0.27 0.00 0.00 62.75 61.80 1w5y n ILE 93 Cb 0.23 0.95 0.01 0.00 -1.74 0.00 0.00 39.64 39.09 1w5y n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1w5y n GLY 94 N 1.38 0.28 3.72 3.28 0.00 -0.60 -5.01 105.19 108.25 1w5y n GLY 94 Ca 0.18 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1w5y n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w5y s THR 96 N 0.39 1.09 -0.18 0.00 -4.23 -1.26 -4.72 115.64 106.74 1w5y s THR 96 Ca 0.46 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.85 1w5y s THR 96 Cb -0.21 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1w5y s THR 96 CO 0.27 -0.61 0.08 -0.22 -0.54 0.00 0.00 174.62 173.60 1w5y s LEU 97 N -3.21 3.92 -0.01 4.79 2.96 -1.26 -5.10 118.68 120.78 1w5y s LEU 97 Ca 0.20 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1w5y s LEU 97 Cb 0.04 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 1w5y s LEU 97 CO 0.03 0.20 -0.04 0.20 -1.32 0.00 0.00 176.35 175.42 1w5y s ASN 98 N 0.21 0.54 0.00 3.68 -0.87 -1.26 -5.30 114.94 111.94 1w5y s ASN 98 Ca 0.05 -0.08 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 1w5y s ASN 98 Cb -0.12 -0.08 0.00 0.00 -0.02 0.00 0.00 41.25 41.03 1w5y s ASN 98 CO -0.00 0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.80