#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 3.46 -0.17 0.54 0.74 -1.26 -5.10 119.66 117.86 1w5y s GLN 2 Ca 0.00 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.79 1w5y s GLN 2 Cb 0.00 -2.83 0.01 0.00 1.10 0.00 0.00 33.01 31.29 1w5y s GLN 2 CO 0.00 0.09 -0.16 0.42 -0.55 0.00 0.00 175.29 175.09 1w5y s ILE 3 N 0.72 2.48 0.68 -2.34 1.01 -1.26 -5.12 121.20 117.37 1w5y s ILE 3 Ca -0.04 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 1w5y s ILE 3 Cb -0.15 -2.05 0.05 0.00 0.01 0.00 0.00 42.46 40.32 1w5y s ILE 3 CO 0.02 0.51 0.99 0.42 0.00 0.00 0.00 174.94 176.89 1w5y s THR 4 N 1.06 2.60 -0.22 2.92 -4.23 -1.26 -5.03 115.64 111.49 1w5y s THR 4 Ca -0.01 -0.19 0.13 0.00 -1.18 0.00 0.00 61.69 60.45 1w5y s THR 4 Cb -0.14 -3.11 0.46 0.00 1.34 0.00 0.00 72.50 71.04 1w5y s THR 4 CO -0.05 -0.12 1.35 0.18 -0.54 0.00 0.00 174.62 175.45 1w5y n LEU 5 N -2.85 3.49 0.23 4.79 4.77 -1.26 -4.60 117.00 121.57 1w5y n LEU 5 Ca 0.07 -3.47 0.09 0.00 -0.03 0.00 0.00 56.01 52.67 1w5y n LEU 5 Cb 0.60 -0.56 0.56 0.00 -2.33 0.00 0.00 43.42 41.69 1w5y n LEU 5 CO 0.52 1.03 0.86 -0.50 -1.33 0.00 0.00 177.39 177.98 1w5y h TRP 6 N 1.01 0.00 -3.06 -1.77 4.06 -2.06 -3.43 115.95 110.68 1w5y h TRP 6 Ca 0.09 0.00 -0.43 0.00 2.06 0.00 0.00 58.89 60.60 1w5y h TRP 6 Cb 1.37 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.39 1w5y h TRP 6 CO 0.65 0.21 -0.63 1.14 -3.56 0.00 0.00 178.44 176.25 1w5y s GLN 7 N -4.02 1.51 0.29 0.49 -2.07 -1.26 -5.11 119.66 109.49 1w5y s GLN 7 Ca -0.02 -1.81 -0.30 0.00 -1.82 0.00 0.00 55.36 51.42 1w5y s GLN 7 Cb 0.13 -0.76 -0.11 0.00 -1.09 0.00 0.00 33.01 31.17 1w5y s GLN 7 CO 0.63 -0.14 1.59 1.03 -1.32 0.00 0.00 175.29 177.08 1w5y s ARG 8 N -3.88 4.12 -1.24 9.60 0.52 -1.26 -4.86 118.95 121.96 1w5y s ARG 8 Ca 0.33 2.58 -0.17 0.00 -0.52 0.00 0.00 55.73 57.95 1w5y s ARG 8 Cb 0.07 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1w5y s ARG 8 CO 0.13 -0.63 2.04 -0.35 0.02 0.00 0.00 175.30 176.51 1w5y n PRO 9 N 2.14 2.47 -3.32 3.54 -0.04 -1.26 -4.93 135.00 133.59 1w5y n PRO 9 Ca 0.08 -2.52 -0.38 0.00 -0.04 0.00 0.00 63.50 60.64 1w5y n PRO 9 Cb 0.37 -3.27 -0.06 0.00 -0.04 0.00 0.00 33.50 30.50 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 3.02 4.51 0.21 1.53 1.43 -1.26 -1.66 118.68 126.46 1w5y s LEU 10 Ca 0.53 1.19 -0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1w5y s LEU 10 Cb 0.11 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1w5y s LEU 10 CO 0.01 0.28 0.11 0.68 0.23 0.00 0.00 176.35 177.66 1w5y s VAL 11 N -1.12 0.16 -0.12 -1.59 -7.23 -0.32 -4.96 120.40 105.22 1w5y s VAL 11 Ca 0.28 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 1w5y s VAL 11 Cb -0.19 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 1w5y s VAL 11 CO 0.18 -0.04 0.25 -0.89 -0.31 0.00 0.00 175.10 174.29 1w5y s THR 12 N -4.04 5.33 0.23 5.32 2.01 -1.26 -1.42 115.64 121.80 1w5y s THR 12 Ca 0.38 0.45 0.10 0.00 0.31 0.00 0.00 61.69 62.93 1w5y s THR 12 Cb 0.07 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 1w5y s THR 12 CO 0.12 0.51 -0.18 0.27 -0.69 0.00 0.00 174.62 174.64 1w5y s ILE 13 N -0.35 2.11 -0.13 1.82 -4.36 0.12 -2.48 121.20 117.93 1w5y s ILE 13 Ca 0.16 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.35 1w5y s ILE 13 Cb -0.13 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1w5y s ILE 13 CO 0.05 -0.42 -0.14 -0.75 0.24 0.00 0.00 174.94 173.92 1w5y s LYS 14 N -3.33 2.24 -0.09 0.37 2.20 0.38 -1.37 119.74 120.14 1w5y s LYS 14 Ca 0.24 -0.55 -0.05 0.00 -0.36 0.00 0.00 55.97 55.26 1w5y s LYS 14 Cb -0.04 -2.00 0.04 0.00 -1.51 0.00 0.00 37.83 34.32 1w5y s LYS 14 CO 0.10 -0.16 0.20 -1.50 -0.36 0.00 0.00 175.35 173.63 1w5y s ILE 15 N 1.28 -0.04 -1.40 5.43 2.07 -0.38 -1.41 121.20 126.76 1w5y s ILE 15 Ca 0.00 0.14 -0.07 0.00 -1.41 0.00 0.00 60.65 59.31 1w5y s ILE 15 Cb -0.14 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.15 1w5y s ILE 15 CO -0.07 0.06 0.97 0.61 -1.91 0.00 0.00 174.94 174.60 1w5y n GLY 16 N 4.04 -0.51 3.00 1.50 0.00 -1.26 -1.61 105.19 110.35 1w5y n GLY 16 Ca -0.24 0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.83 0.28 3.51 -0.02 0.00 -1.26 -4.98 105.19 100.89 1w5y n GLY 17 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.96 2.25 -0.04 1.61 -0.21 -0.63 -5.12 119.66 116.56 1w5y s GLN 18 Ca 0.00 -0.89 -0.16 0.00 0.02 0.00 0.00 55.36 54.33 1w5y s GLN 18 Cb 0.00 -2.31 -0.05 0.00 1.00 0.00 0.00 33.01 31.65 1w5y s GLN 18 CO 0.00 0.56 0.42 -0.51 -2.12 0.00 0.00 175.29 173.65 1w5y s LEU 19 N -1.47 4.40 0.09 2.90 1.43 -1.26 -1.25 118.68 123.52 1w5y s LEU 19 Ca 0.16 0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 1w5y s LEU 19 Cb -0.11 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1w5y s LEU 19 CO 0.07 0.21 0.06 -0.54 0.23 0.00 0.00 176.35 176.38 1w5y s LYS 20 N -0.45 0.79 -0.11 1.70 1.02 -0.47 -4.99 119.74 117.24 1w5y s LYS 20 Ca 0.24 -1.23 -0.04 0.00 0.02 0.00 0.00 55.97 54.95 1w5y s LYS 20 Cb -0.16 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 1w5y s LYS 20 CO 0.12 -0.21 0.06 -1.21 -0.92 0.00 0.00 175.35 173.18 1w5y s GLU 21 N -3.95 3.25 0.06 1.68 2.02 -1.26 -0.70 118.70 119.79 1w5y s GLU 21 Ca 0.13 -0.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.77 1w5y s GLU 21 Cb 0.07 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1w5y s GLU 21 CO -0.06 0.68 0.06 0.00 0.02 0.00 0.00 175.26 175.96 1w5y s ALA 22 N -0.80 0.20 -0.17 5.21 0.00 -0.51 -4.49 121.76 121.20 1w5y s ALA 22 Ca 0.13 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 1w5y s ALA 22 Cb -0.12 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1w5y s ALA 22 CO 0.03 -0.41 0.15 -1.17 0.00 0.00 0.00 175.76 174.36 1w5y s LEU 23 N -2.81 4.26 -0.52 0.00 2.96 -0.21 -1.17 118.68 121.19 1w5y s LEU 23 Ca 0.05 0.33 -0.27 0.00 -0.22 0.00 0.00 54.13 54.02 1w5y s LEU 23 Cb 0.06 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.66 1w5y s LEU 23 CO -0.10 0.23 1.08 -0.76 -1.32 0.00 0.00 176.35 175.48 1w5y s LEU 24 N -0.01 3.73 -0.34 -0.68 1.43 -0.66 -0.93 118.68 121.21 1w5y s LEU 24 Ca 0.11 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1w5y s LEU 24 Cb -0.12 -3.24 0.10 0.00 0.03 0.00 0.00 46.19 42.96 1w5y s LEU 24 CO 0.00 -1.28 0.06 -0.62 0.23 0.00 0.00 176.35 174.75 1w5y s ASP 25 N 2.63 4.81 0.33 2.29 -1.08 -0.62 -4.81 116.67 120.22 1w5y s ASP 25 Ca 0.41 -2.12 0.26 0.00 -0.52 0.00 0.00 52.55 50.58 1w5y s ASP 25 Cb -0.09 -1.65 1.13 0.00 -1.46 0.00 0.00 42.92 40.86 1w5y s ASP 25 CO 0.27 -0.39 1.77 0.71 0.52 0.00 0.00 175.17 178.05 1w5y h THR 26 N 6.59 0.00 -0.00 1.71 1.35 -1.94 -2.36 112.91 118.26 1w5y h THR 26 Ca -0.05 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1w5y h THR 26 Cb 1.02 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1w5y h THR 26 CO 0.54 0.00 -0.23 0.61 -0.25 0.00 0.00 175.52 176.19 1w5y n GLY 27 N -0.26 -1.13 3.66 5.82 0.00 -1.26 -4.80 105.19 107.22 1w5y n GLY 27 Ca 0.01 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.77 3.60 0.20 4.61 0.00 -0.89 -4.98 121.76 121.53 1w5y s ALA 28 Ca 0.19 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1w5y s ALA 28 Cb 0.19 -2.38 0.15 0.00 0.00 0.00 0.00 23.12 21.07 1w5y s ALA 28 CO 0.57 -0.24 1.59 -0.44 0.00 0.00 0.00 175.76 177.24 1w5y h ASP 29 N 7.56 0.79 -0.78 0.00 3.32 -1.87 -0.31 116.42 125.14 1w5y h ASP 29 Ca -0.37 -0.31 -0.66 0.00 0.02 0.00 0.00 57.03 55.70 1w5y h ASP 29 Cb 1.17 -0.22 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 1w5y h ASP 29 CO 0.66 1.03 -0.53 -1.81 -1.72 0.00 0.00 179.24 176.86 1w5y s ASP 30 N -6.79 4.08 -0.21 6.45 1.01 -1.26 -2.78 116.67 117.17 1w5y s ASP 30 Ca -0.09 -1.54 -0.07 0.00 0.71 0.00 0.00 52.55 51.56 1w5y s ASP 30 Cb 0.13 0.22 -0.03 0.00 1.01 0.00 0.00 42.92 44.24 1w5y s ASP 30 CO 0.84 -0.73 0.06 -0.89 0.21 0.00 0.00 175.17 174.65 1w5y s THR 31 N -2.82 4.49 -0.05 -1.27 2.01 -1.26 -3.07 115.64 113.67 1w5y s THR 31 Ca 0.16 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.05 1w5y s THR 31 Cb 0.04 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1w5y s THR 31 CO 0.08 0.41 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.64 1w5y s VAL 32 N 0.94 0.89 0.23 3.82 1.01 -0.53 -0.54 120.40 126.22 1w5y s VAL 32 Ca 0.03 -0.36 0.11 0.00 0.00 0.00 0.00 61.98 61.77 1w5y s VAL 32 Cb -0.14 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1w5y s VAL 32 CO 0.03 0.29 -0.18 -0.76 0.00 0.00 0.00 175.10 174.48 1w5y s LEU 33 N 0.60 2.66 0.81 3.92 1.43 0.58 -0.35 118.68 128.33 1w5y s LEU 33 Ca -0.11 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.01 1w5y s LEU 33 Cb -0.14 -1.28 0.08 0.00 0.03 0.00 0.00 46.19 44.89 1w5y s LEU 33 CO 0.02 0.08 1.17 -1.61 0.23 0.00 0.00 176.35 176.23 1w5y s GLU 34 N -3.11 1.72 -0.09 1.70 2.02 -1.26 -1.91 118.70 117.77 1w5y s GLU 34 Ca 0.26 1.60 -0.41 0.00 0.02 0.00 0.00 54.97 56.44 1w5y s GLU 34 Cb -0.07 -1.80 -0.19 0.00 0.10 0.00 0.00 34.13 32.17 1w5y s GLU 34 CO 0.14 -2.12 1.26 -1.91 0.02 0.00 0.00 175.26 172.65 1w5y n GLU 35 N -3.41 0.31 -3.82 1.61 4.07 -1.23 -4.65 120.64 113.52 1w5y n GLU 35 Ca 0.12 0.11 -0.05 0.00 -0.06 0.00 0.00 57.16 57.29 1w5y n GLU 35 Cb 0.51 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 1w5y n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1w5y s MET 36 N 0.87 1.53 -0.21 5.31 0.23 -1.26 -5.05 119.30 120.72 1w5y s MET 36 Ca 0.93 -0.92 -0.08 0.00 -1.03 0.00 0.00 55.69 54.58 1w5y s MET 36 Cb -1.23 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 32.49 1w5y s MET 36 CO 0.60 -0.71 0.09 0.45 -2.03 0.00 0.00 175.02 173.42 1w5y s SER 37 N -3.11 5.70 0.17 -1.18 0.15 -1.26 -5.06 113.70 109.11 1w5y s SER 37 Ca 0.16 0.05 0.08 0.00 0.70 0.00 0.00 55.95 56.93 1w5y s SER 37 Cb -0.03 -2.00 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1w5y s SER 37 CO 0.06 0.12 -0.16 -0.76 1.20 0.00 0.00 173.24 173.69 1w5y s LEU 38 N 0.73 2.46 0.57 3.45 1.43 -1.26 -5.03 118.68 121.03 1w5y s LEU 38 Ca 0.05 -0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 52.11 1w5y s LEU 38 Cb -0.13 -0.73 -0.06 0.00 0.03 0.00 0.00 46.19 45.31 1w5y s LEU 38 CO 0.02 -0.10 1.01 -2.16 0.23 0.00 0.00 176.35 175.35 1w5y s PRO 39 N -3.00 3.74 0.32 1.29 0.04 -1.26 -4.97 135.00 131.16 1w5y s PRO 39 Ca 0.16 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1w5y s PRO 39 Cb -0.04 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1w5y s PRO 39 CO 0.06 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1w5y n GLY 40 N -2.08 -2.48 3.90 0.56 0.00 -1.26 -4.94 105.19 98.89 1w5y n GLY 40 Ca 0.06 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 1w5y n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w5y s ARG 41 N -0.57 3.64 0.25 1.61 0.52 -1.26 -5.10 118.95 118.03 1w5y s ARG 41 Ca 0.00 0.18 0.08 0.00 -0.52 0.00 0.00 55.73 55.47 1w5y s ARG 41 Cb 0.00 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 1w5y s ARG 41 CO 0.00 -0.01 -0.11 1.67 0.02 0.00 0.00 175.30 176.87 1w5y s TRP 42 N -2.41 1.88 0.21 -0.53 1.48 -1.26 -4.69 118.94 113.62 1w5y s TRP 42 Ca 0.47 -0.60 0.10 0.00 -1.06 0.00 0.00 56.10 55.01 1w5y s TRP 42 Cb -0.10 -0.95 -0.05 0.00 -1.16 0.00 0.00 33.47 31.21 1w5y s TRP 42 CO 0.36 0.37 -0.19 0.15 -4.06 0.00 0.00 176.95 173.58 1w5y s LYS 43 N -3.66 1.42 0.33 3.25 1.02 -0.83 -4.91 119.74 116.37 1w5y s LYS 43 Ca 0.26 -1.56 -0.20 0.00 0.02 0.00 0.00 55.97 54.50 1w5y s LYS 43 Cb 0.01 -1.46 -0.10 0.00 -0.52 0.00 0.00 37.83 35.76 1w5y s LYS 43 CO 0.10 0.28 0.83 -1.25 -0.92 0.00 0.00 175.35 174.39 1w5y s PRO 44 N -3.16 4.22 -0.03 -1.68 0.04 -1.26 -0.64 135.00 132.48 1w5y s PRO 44 Ca 0.22 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 62.01 1w5y s PRO 44 Cb -0.05 -2.53 0.04 0.00 0.04 0.00 0.00 34.50 32.01 1w5y s PRO 44 CO 0.09 0.18 0.43 0.21 0.04 0.00 0.00 177.00 177.95 1w5y s LYS 45 N -2.65 0.78 -0.10 4.56 2.20 -1.04 -4.87 119.74 118.61 1w5y s LYS 45 Ca 0.53 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 56.16 1w5y s LYS 45 Cb -0.13 0.36 -0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1w5y s LYS 45 CO 0.18 -0.22 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.09 1w5y s MET 46 N -1.21 3.09 -0.02 4.03 -1.94 -1.26 -1.25 119.30 120.74 1w5y s MET 46 Ca -0.12 -0.84 0.05 0.00 -1.71 0.00 0.00 55.69 53.07 1w5y s MET 46 Cb -0.04 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.43 1w5y s MET 46 CO 0.06 0.20 -0.18 0.96 -0.01 0.00 0.00 175.02 176.05 1w5y s ILE 47 N 0.31 1.42 -0.11 2.53 -4.36 -0.96 -4.99 121.20 115.03 1w5y s ILE 47 Ca -0.16 -0.75 -0.02 0.00 -0.26 0.00 0.00 60.65 59.46 1w5y s ILE 47 Cb -0.17 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.32 1w5y s ILE 47 CO 0.08 0.40 -0.04 -0.83 0.24 0.00 0.00 174.94 174.80 1w5y s GLY 48 N -0.26 1.74 0.00 6.27 0.00 -1.26 -1.79 107.32 112.02 1w5y s GLY 48 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1w5y s GLY 48 CO 0.00 -0.37 0.00 0.61 0.00 0.00 0.00 173.10 173.35 1w5y n GLY 49 N 2.81 5.92 0.36 0.20 0.00 0.99 -4.97 105.19 110.50 1w5y n GLY 49 Ca -0.18 -1.98 0.16 0.00 0.00 0.00 0.00 46.02 44.02 1w5y n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1w5y h ILE 50 N 0.43 0.82 -0.41 -0.61 2.10 -2.02 -2.70 117.51 115.12 1w5y h ILE 50 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1w5y h ILE 50 Cb 0.00 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 36.33 1w5y h ILE 50 CO 0.00 0.04 0.00 0.61 -1.08 0.00 0.00 178.15 177.72 1w5y n GLY 51 N -1.57 2.57 0.00 8.18 0.00 -1.26 -5.09 105.19 108.02 1w5y n GLY 51 Ca 0.09 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.77 0.75 3.71 -0.02 0.00 -1.02 -5.10 105.19 104.28 1w5y n GLY 52 Ca 0.14 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.47 2.83 0.01 1.61 0.40 -1.26 -0.01 117.98 120.09 1w5y s PHE 53 Ca 0.00 -0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.09 1w5y s PHE 53 Cb 0.00 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 1w5y s PHE 53 CO 0.00 0.55 0.04 0.96 0.70 0.00 0.00 175.22 177.47 1w5y s ILE 54 N -2.28 0.09 -0.03 0.64 -4.36 -0.74 -4.99 121.20 109.53 1w5y s ILE 54 Ca 0.33 -0.77 -0.17 0.00 -0.26 0.00 0.00 60.65 59.78 1w5y s ILE 54 Cb -0.06 -0.31 -0.05 0.00 1.25 0.00 0.00 42.46 43.28 1w5y s ILE 54 CO 0.22 -0.42 0.47 -0.54 0.24 0.00 0.00 174.94 174.91 1w5y s LYS 55 N -1.33 4.15 0.21 0.37 1.02 -1.26 -2.27 119.74 120.62 1w5y s LYS 55 Ca -0.14 0.50 0.02 0.00 0.02 0.00 0.00 55.97 56.36 1w5y s LYS 55 Cb -0.08 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 1w5y s LYS 55 CO 0.00 0.47 0.02 0.14 -0.92 0.00 0.00 175.35 175.06 1w5y s VAL 56 N -0.40 0.74 -0.18 3.17 -7.23 -0.38 -4.55 120.40 111.57 1w5y s VAL 56 Ca 0.26 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1w5y s VAL 56 Cb -0.17 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1w5y s VAL 56 CO 0.13 -0.32 0.06 -0.13 -0.31 0.00 0.00 175.10 174.54 1w5y s ARG 57 N -3.93 3.95 -0.24 4.82 0.52 0.27 -2.49 118.95 121.84 1w5y s ARG 57 Ca 0.29 -0.33 -0.10 0.00 -0.52 0.00 0.00 55.73 55.06 1w5y s ARG 57 Cb 0.06 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.28 1w5y s ARG 57 CO 0.08 0.30 0.15 -1.14 0.02 0.00 0.00 175.30 174.71 1w5y s GLN 58 N 0.28 3.98 -0.07 3.54 0.74 0.18 -0.77 119.66 127.55 1w5y s GLN 58 Ca 0.04 -0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.16 1w5y s GLN 58 Cb -0.12 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 1w5y s GLN 58 CO 0.00 -0.01 -0.16 0.71 -0.55 0.00 0.00 175.29 175.29 1w5y s TYR 59 N 1.23 2.68 0.26 1.67 1.51 -0.38 -1.96 117.35 122.35 1w5y s TYR 59 Ca 0.07 -0.34 0.08 0.00 -1.01 0.00 0.00 57.07 55.86 1w5y s TYR 59 Cb -0.14 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1w5y s TYR 59 CO 0.06 0.04 0.13 -0.51 -1.11 0.00 0.00 175.55 174.15 1w5y s ASP 60 N -0.42 5.18 -1.28 2.29 1.01 -1.26 -1.14 116.67 121.05 1w5y s ASP 60 Ca 0.05 -0.39 -0.07 0.00 0.71 0.00 0.00 52.55 52.84 1w5y s ASP 60 Cb -0.12 -1.21 -0.00 0.00 1.01 0.00 0.00 42.92 42.60 1w5y s ASP 60 CO 0.02 -0.03 0.62 0.00 0.21 0.00 0.00 175.17 176.00 1w5y n GLN 61 N -1.08 -2.99 -3.84 8.23 6.02 -1.18 -4.92 117.38 117.61 1w5y n GLN 61 Ca -0.07 0.49 -0.35 0.00 -0.01 0.00 0.00 57.00 57.05 1w5y n GLN 61 Cb 0.58 -4.59 -0.08 0.00 1.02 0.00 0.00 30.24 27.18 1w5y n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1w5y s ILE 62 N -3.71 5.29 0.02 5.09 -1.09 -0.03 -4.79 121.20 121.97 1w5y s ILE 62 Ca 0.17 0.14 -0.29 0.00 -2.23 0.00 0.00 60.65 58.44 1w5y s ILE 62 Cb -0.06 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1w5y s ILE 62 CO 0.86 0.50 0.95 -0.22 -1.23 0.00 0.00 174.94 175.79 1w5y s LEU 63 N -0.05 4.40 -0.10 2.97 2.96 -1.26 -1.71 118.68 125.88 1w5y s LEU 63 Ca 0.09 1.65 -0.06 0.00 -0.22 0.00 0.00 54.13 55.58 1w5y s LEU 63 Cb -0.11 -3.52 0.04 0.00 0.50 0.00 0.00 46.19 43.09 1w5y s LEU 63 CO 0.00 -0.20 0.25 -0.51 -1.32 0.00 0.00 176.35 174.57 1w5y s ILE 64 N 0.74 -0.03 -0.24 6.68 2.07 0.04 -4.61 121.20 125.85 1w5y s ILE 64 Ca 0.49 0.10 -0.08 0.00 -1.41 0.00 0.00 60.65 59.76 1w5y s ILE 64 Cb -0.21 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 1w5y s ILE 64 CO 0.27 0.04 0.09 -0.70 -1.91 0.00 0.00 174.94 172.74 1w5y s GLU 65 N 0.94 3.78 -0.23 3.50 2.12 -0.50 -0.47 118.70 127.85 1w5y s GLU 65 Ca -0.07 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.84 1w5y s GLU 65 Cb -0.08 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.98 1w5y s GLU 65 CO -0.06 -0.08 -0.10 0.42 -0.54 0.00 0.00 175.26 174.90 1w5y s ILE 66 N 1.35 2.61 -1.50 -3.70 1.01 0.10 -0.47 121.20 120.60 1w5y s ILE 66 Ca 0.06 -1.04 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 1w5y s ILE 66 Cb -0.15 -2.29 0.10 0.00 0.01 0.00 0.00 42.46 40.14 1w5y s ILE 66 CO 0.04 0.28 0.74 0.00 0.00 0.00 0.00 174.94 176.00 1w5y n GLY 68 N -1.40 3.08 3.70 0.00 0.00 -1.26 -5.02 105.19 104.28 1w5y n GLY 68 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.90 3.57 0.01 1.61 4.02 0.69 -5.03 115.29 118.27 1w5y s HIS 69 Ca 0.00 1.56 -0.25 0.00 1.02 0.00 0.00 55.06 57.39 1w5y s HIS 69 Cb 0.00 -3.10 -0.05 0.00 -1.02 0.00 0.00 32.58 28.41 1w5y s HIS 69 CO 0.00 -0.10 0.76 0.15 1.02 0.00 0.00 174.74 176.57 1w5y s LYS 70 N 1.48 4.48 0.07 1.40 1.02 -1.26 0.02 119.74 126.95 1w5y s LYS 70 Ca 0.47 1.04 0.03 0.00 0.02 0.00 0.00 55.97 57.53 1w5y s LYS 70 Cb -0.19 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 1w5y s LYS 70 CO 0.21 0.21 -0.09 0.00 -0.92 0.00 0.00 175.35 174.76 1w5y s ALA 71 N 0.22 0.86 -0.15 5.17 0.00 0.38 -4.96 121.76 123.29 1w5y s ALA 71 Ca 0.39 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 1w5y s ALA 71 Cb -0.20 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.02 1w5y s ALA 71 CO 0.22 -0.04 0.05 0.42 0.00 0.00 0.00 175.76 176.41 1w5y s ILE 72 N -2.05 0.24 0.00 0.00 1.01 -1.26 -0.78 121.20 118.36 1w5y s ILE 72 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1w5y s ILE 72 Cb -0.05 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.71 1w5y s ILE 72 CO -0.00 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1w5y n GLY 73 N 5.17 2.06 3.72 6.18 0.00 -0.70 -4.81 105.19 116.82 1w5y n GLY 73 Ca -0.07 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.74 4.58 -0.06 2.61 2.01 -1.26 -0.85 115.64 119.92 1w5y s THR 74 Ca 0.00 1.94 0.03 0.00 0.31 0.00 0.00 61.69 63.97 1w5y s THR 74 Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1w5y s THR 74 CO 0.00 0.20 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.28 1w5y s VAL 75 N 0.70 1.36 -0.01 3.82 1.01 -0.29 -4.57 120.40 122.41 1w5y s VAL 75 Ca 0.52 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1w5y s VAL 75 Cb -0.23 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1w5y s VAL 75 CO 0.29 0.40 0.13 -0.76 0.00 0.00 0.00 175.10 175.16 1w5y s LEU 76 N 0.34 4.15 -0.07 3.92 1.43 0.30 -1.25 118.68 127.50 1w5y s LEU 76 Ca -0.10 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1w5y s LEU 76 Cb -0.14 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.67 1w5y s LEU 76 CO 0.04 0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 176.06 1w5y s VAL 77 N -1.25 1.24 -0.01 -1.59 1.01 0.05 -0.31 120.40 119.55 1w5y s VAL 77 Ca 0.25 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1w5y s VAL 77 Cb -0.12 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1w5y s VAL 77 CO 0.16 0.38 0.14 0.61 0.00 0.00 0.00 175.10 176.38 1w5y n GLY 78 N 3.71 0.39 2.24 4.51 0.00 -0.80 -0.57 105.19 114.67 1w5y n GLY 78 Ca -0.22 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.10 1.24 -2.96 1.61 -0.04 -1.26 -3.46 135.00 130.02 1w5y n PRO 79 Ca 0.01 -0.65 -0.35 0.00 -0.04 0.00 0.00 63.50 62.47 1w5y n PRO 79 Cb 0.06 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 31.61 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 1.96 4.45 0.36 0.52 -1.32 -1.26 -4.96 115.64 115.39 1w5y s THR 80 Ca 0.39 1.42 0.16 0.00 -1.21 0.00 0.00 61.69 62.45 1w5y s THR 80 Cb 0.18 -3.81 0.15 0.00 -1.51 0.00 0.00 72.50 67.51 1w5y s THR 80 CO -0.00 0.02 1.88 -0.65 -2.21 0.00 0.00 174.62 173.65 1w5y h PRO 81 N 2.84 0.00 -3.44 7.08 0.11 -1.98 -3.44 132.00 133.17 1w5y h PRO 81 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1w5y h PRO 81 Cb 1.19 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.14 1w5y h PRO 81 CO 0.64 0.30 -0.27 0.14 -0.21 0.00 0.00 178.00 178.61 1w5y s VAL 82 N -4.17 0.10 0.04 3.15 -7.23 -1.26 -5.08 120.40 105.94 1w5y s VAL 82 Ca -0.03 -0.79 -0.31 0.00 -1.81 0.00 0.00 61.98 59.05 1w5y s VAL 82 Cb 0.14 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.97 1w5y s VAL 82 CO 0.69 -0.44 1.39 0.20 -0.31 0.00 0.00 175.10 176.64 1w5y s ASN 83 N -2.31 6.85 -0.12 4.85 0.01 -1.26 -4.72 114.94 118.23 1w5y s ASN 83 Ca -0.02 2.18 0.03 0.00 -0.71 0.00 0.00 52.86 54.34 1w5y s ASN 83 Cb 0.01 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1w5y s ASN 83 CO -0.06 -0.69 -0.23 -0.63 -1.51 0.00 0.00 177.10 173.99 1w5y s ILE 84 N 1.93 2.05 -0.39 0.60 1.01 0.53 -1.05 121.20 125.89 1w5y s ILE 84 Ca 0.64 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 1w5y s ILE 84 Cb -0.33 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1w5y s ILE 84 CO 0.28 0.55 0.28 -0.63 0.00 0.00 0.00 174.94 175.42 1w5y s ILE 85 N 0.64 5.23 0.53 2.92 -1.09 -0.11 -1.46 121.20 127.86 1w5y s ILE 85 Ca -0.11 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 57.77 1w5y s ILE 85 Cb -0.16 -3.85 0.10 0.00 -1.58 0.00 0.00 42.46 36.97 1w5y s ILE 85 CO 0.02 -0.22 0.73 0.61 -1.23 0.00 0.00 174.94 174.85 1w5y n GLY 86 N 5.14 0.88 0.32 6.18 0.00 -1.17 -1.59 105.19 114.93 1w5y n GLY 86 Ca -0.12 -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 0.07 -0.36 1.61 3.08 -1.05 -1.04 114.38 116.69 1w5y h ARG 87 Ca -0.24 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.83 1w5y h ARG 87 Cb 0.92 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1w5y h ARG 87 CO 0.27 0.05 0.24 -2.95 -1.07 0.00 0.00 179.97 176.51 1w5y h ASN 88 N 0.07 0.34 0.00 7.04 -1.07 -1.79 -1.93 115.58 118.25 1w5y h ASN 88 Ca 0.13 -0.01 -0.27 0.00 0.07 0.00 0.00 56.30 56.22 1w5y h ASN 88 Cb 0.42 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.54 1w5y h ASN 88 CO -0.01 0.24 -2.28 0.18 0.07 0.00 0.00 177.43 175.63 1w5y n LEU 89 N -4.49 0.00 -0.18 6.14 4.77 -0.84 -4.13 117.00 118.28 1w5y n LEU 89 Ca 0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1w5y n LEU 89 Cb 0.14 0.37 0.23 0.00 -2.33 0.00 0.00 43.42 41.82 1w5y n LEU 89 CO 0.35 0.37 1.15 -0.07 -1.33 0.00 0.00 177.39 177.85 1w5y h LEU 90 N 0.00 0.82 -1.05 2.23 3.38 -0.97 -1.69 115.31 118.03 1w5y h LEU 90 Ca -0.40 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.41 1w5y h LEU 90 Cb 1.91 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1w5y h LEU 90 CO 0.02 0.66 -0.41 0.71 0.09 0.00 0.00 178.44 179.51 1w5y h THR 91 N 0.93 1.31 0.00 0.22 1.35 -1.54 -1.63 112.91 113.55 1w5y h THR 91 Ca 0.24 -1.48 -0.07 0.00 -0.55 0.00 0.00 66.41 64.54 1w5y h THR 91 Cb 0.02 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1w5y h THR 91 CO -0.04 0.43 -0.34 1.56 -0.25 0.00 0.00 175.52 176.88 1w5y h GLN 92 N 0.10 0.00 -0.30 4.72 4.20 -1.47 -2.60 115.11 119.76 1w5y h GLN 92 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1w5y h GLN 92 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1w5y h GLN 92 CO 0.06 0.34 0.00 0.44 -0.67 0.00 0.00 178.83 179.00 1w5y n ILE 93 N -3.95 0.39 -1.98 2.54 -5.35 -1.05 -4.95 119.36 105.02 1w5y n ILE 93 Ca -0.02 -0.59 -0.05 0.00 -0.27 0.00 0.00 62.75 61.82 1w5y n ILE 93 Cb 0.40 0.73 -0.01 0.00 -1.74 0.00 0.00 39.64 39.03 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 1.35 0.23 3.73 3.28 0.00 -0.98 -5.02 105.19 107.79 1w5y n GLY 94 Ca 0.18 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 0.10 0.66 -0.15 0.00 -4.23 -1.26 -4.71 115.64 106.04 1w5y s THR 96 Ca 0.49 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 1w5y s THR 96 Cb -0.25 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 1w5y s THR 96 CO 0.31 -0.87 0.16 -0.76 -0.54 0.00 0.00 174.62 172.91 1w5y s LEU 97 N -3.04 4.31 0.01 4.79 1.43 -1.26 -5.10 118.68 119.83 1w5y s LEU 97 Ca 0.12 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 1w5y s LEU 97 Cb 0.05 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1w5y s LEU 97 CO -0.05 0.30 -0.05 0.20 0.23 0.00 0.00 176.35 176.97 1w5y s ASN 98 N -0.39 0.61 0.00 2.29 0.01 -1.26 -5.30 114.94 110.90 1w5y s ASN 98 Ca 0.13 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 1w5y s ASN 98 Cb -0.12 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.52 1w5y s ASN 98 CO 0.02 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.79