#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w5x s GLN 2 N 0.00 3.12 -0.22 0.54 0.74 -1.26 -5.10 119.66 117.48 1w5x s GLN 2 Ca 0.00 -0.78 -0.06 0.00 0.05 0.00 0.00 55.36 54.57 1w5x s GLN 2 Cb 0.00 -2.63 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 1w5x s GLN 2 CO 0.00 -0.10 0.02 0.42 -0.55 0.00 0.00 175.29 175.08 1w5x s ILE 3 N 1.08 4.03 0.65 -2.34 1.01 -1.26 -5.10 121.20 119.27 1w5x s ILE 3 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 1w5x s ILE 3 Cb -0.14 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.47 1w5x s ILE 3 CO -0.05 0.39 1.02 0.42 0.00 0.00 0.00 174.94 176.72 1w5x s THR 4 N 1.29 3.88 -0.25 2.92 -4.23 -1.26 -5.01 115.64 112.99 1w5x s THR 4 Ca 0.04 0.43 0.12 0.00 -1.18 0.00 0.00 61.69 61.11 1w5x s THR 4 Cb -0.15 -3.58 0.55 0.00 1.34 0.00 0.00 72.50 70.66 1w5x s THR 4 CO 0.02 -0.72 1.50 0.18 -0.54 0.00 0.00 174.62 175.06 1w5x n LEU 5 N -2.80 4.34 0.10 4.79 4.77 -1.26 -4.53 117.00 122.41 1w5x n LEU 5 Ca 0.06 -3.39 0.01 0.00 -0.03 0.00 0.00 56.01 52.66 1w5x n LEU 5 Cb 0.56 -0.62 0.34 0.00 -2.33 0.00 0.00 43.42 41.37 1w5x n LEU 5 CO 0.56 0.95 0.82 -0.50 -1.33 0.00 0.00 177.39 177.90 1w5x h TRP 6 N 1.48 0.28 -2.66 -1.77 4.06 -2.06 -3.43 115.95 111.85 1w5x h TRP 6 Ca 0.15 -0.04 -0.49 0.00 2.06 0.00 0.00 58.89 60.57 1w5x h TRP 6 Cb 1.69 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.64 1w5x h TRP 6 CO 0.85 0.45 -0.65 -0.65 -3.56 0.00 0.00 178.44 174.88 1w5x s GLN 7 N -4.58 1.60 0.29 0.49 1.11 -1.26 -5.10 119.66 112.20 1w5x s GLN 7 Ca -0.05 -1.84 -0.30 0.00 0.01 0.00 0.00 55.36 53.18 1w5x s GLN 7 Cb 0.15 -1.08 -0.12 0.00 -1.01 0.00 0.00 33.01 30.94 1w5x s GLN 7 CO 0.75 -0.04 1.55 0.54 0.01 0.00 0.00 175.29 178.10 1w5x n ARG 8 N -0.63 2.58 -2.44 2.91 1.74 -1.26 -4.85 116.66 114.71 1w5x n ARG 8 Ca -0.05 0.92 -0.41 0.00 -0.77 0.00 0.00 57.85 57.54 1w5x n ARG 8 Cb 0.65 -2.67 -0.01 0.00 -1.02 0.00 0.00 32.46 29.40 1w5x n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1w5x n PRO 9 N 2.04 2.96 -3.49 5.56 -0.04 -1.26 -4.94 135.00 135.82 1w5x n PRO 9 Ca 0.09 -3.12 -0.38 0.00 -0.04 0.00 0.00 63.50 60.05 1w5x n PRO 9 Cb 0.36 -3.51 -0.06 0.00 -0.04 0.00 0.00 33.50 30.25 1w5x n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w5x s LEU 10 N 4.91 4.44 0.13 1.53 1.43 -1.26 -0.92 118.68 128.93 1w5x s LEU 10 Ca 0.55 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 54.57 1w5x s LEU 10 Cb 0.04 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1w5x s LEU 10 CO 0.08 0.28 0.03 0.68 0.23 0.00 0.00 176.35 177.64 1w5x s VAL 11 N -0.81 0.29 -0.09 -1.59 -7.23 0.67 -4.94 120.40 106.69 1w5x s VAL 11 Ca 0.23 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.32 1w5x s VAL 11 Cb -0.16 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1w5x s VAL 11 CO 0.12 -0.56 0.43 -0.89 -0.31 0.00 0.00 175.10 173.90 1w5x s THR 12 N -3.91 5.16 0.21 5.32 2.01 -1.26 -0.54 115.64 122.63 1w5x s THR 12 Ca 0.21 0.86 0.10 0.00 0.31 0.00 0.00 61.69 63.18 1w5x s THR 12 Cb 0.07 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1w5x s THR 12 CO 0.00 0.40 -0.20 0.27 -0.69 0.00 0.00 174.62 174.40 1w5x s ILE 13 N 0.15 2.17 -0.14 1.82 -4.36 0.12 -3.16 121.20 117.79 1w5x s ILE 13 Ca 0.24 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.52 1w5x s ILE 13 Cb -0.15 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.49 1w5x s ILE 13 CO 0.10 -0.30 -0.18 -0.75 0.24 0.00 0.00 174.94 174.05 1w5x s LYS 14 N -3.04 2.64 -0.14 0.37 2.20 -0.26 -0.53 119.74 120.97 1w5x s LYS 14 Ca 0.22 -0.70 -0.09 0.00 -0.36 0.00 0.00 55.97 55.04 1w5x s LYS 14 Cb -0.06 -2.25 0.05 0.00 -1.51 0.00 0.00 37.83 34.06 1w5x s LYS 14 CO 0.10 -0.12 0.34 -1.50 -0.36 0.00 0.00 175.35 173.81 1w5x s ILE 15 N 1.12 -0.02 -1.74 5.43 2.07 0.05 -1.28 121.20 126.83 1w5x s ILE 15 Ca -0.02 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 1w5x s ILE 15 Cb -0.14 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 41.95 1w5x s ILE 15 CO -0.06 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 1w5x n GLY 16 N 3.77 -0.26 2.19 1.50 0.00 -1.26 -0.73 105.19 110.41 1w5x n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1w5x n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w5x n GLY 17 N -0.93 0.46 3.49 -0.02 0.00 -1.26 -5.02 105.19 101.91 1w5x n GLY 17 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1w5x n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w5x s GLN 18 N -0.27 2.25 -0.22 1.61 -0.21 0.09 -5.11 119.66 117.81 1w5x s GLN 18 Ca 0.00 -0.88 -0.12 0.00 0.02 0.00 0.00 55.36 54.38 1w5x s GLN 18 Cb 0.00 -2.29 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 1w5x s GLN 18 CO 0.00 0.57 0.22 -0.51 -2.12 0.00 0.00 175.29 173.45 1w5x s LEU 19 N -1.33 4.15 0.11 2.90 1.43 -1.26 -0.77 118.68 123.92 1w5x s LEU 19 Ca 0.15 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1w5x s LEU 19 Cb -0.11 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1w5x s LEU 19 CO 0.05 0.05 -0.05 -0.54 0.23 0.00 0.00 176.35 176.10 1w5x s LYS 20 N 0.94 0.89 -0.17 1.70 1.02 0.31 -4.96 119.74 119.47 1w5x s LYS 20 Ca 0.11 -1.38 -0.10 0.00 0.02 0.00 0.00 55.97 54.62 1w5x s LYS 20 Cb -0.13 -0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 36.92 1w5x s LYS 20 CO 0.04 -0.04 0.17 -2.00 -0.92 0.00 0.00 175.35 172.60 1w5x s GLU 21 N -3.85 4.03 0.04 1.68 2.12 -1.26 0.12 118.70 121.58 1w5x s GLU 21 Ca 0.14 -0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.35 1w5x s GLU 21 Cb 0.05 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 1w5x s GLU 21 CO -0.03 0.41 -0.03 0.00 -0.54 0.00 0.00 175.26 175.07 1w5x s ALA 22 N 0.02 0.43 -0.17 6.30 0.00 0.30 -4.43 121.76 124.21 1w5x s ALA 22 Ca 0.12 -1.04 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 1w5x s ALA 22 Cb -0.12 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1w5x s ALA 22 CO 0.01 -0.30 0.24 -1.17 0.00 0.00 0.00 175.76 174.54 1w5x s LEU 23 N -2.51 4.23 -0.51 0.00 2.96 -0.09 -0.24 118.68 122.52 1w5x s LEU 23 Ca 0.01 0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 1w5x s LEU 23 Cb 0.03 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.46 1w5x s LEU 23 CO -0.07 0.12 1.19 -0.76 -1.32 0.00 0.00 176.35 175.51 1w5x s LEU 24 N 0.45 3.55 -0.37 -0.68 1.43 -0.10 -0.55 118.68 122.42 1w5x s LEU 24 Ca 0.14 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1w5x s LEU 24 Cb -0.12 -3.40 0.10 0.00 0.03 0.00 0.00 46.19 42.81 1w5x s LEU 24 CO 0.02 -1.37 0.11 -0.62 0.23 0.00 0.00 176.35 174.72 1w5x s ASP 25 N 2.82 4.93 0.35 2.29 -1.08 -0.34 -4.77 116.67 120.87 1w5x s ASP 25 Ca 0.47 -2.14 0.27 0.00 -0.52 0.00 0.00 52.55 50.63 1w5x s ASP 25 Cb -0.08 -1.70 1.15 0.00 -1.46 0.00 0.00 42.92 40.83 1w5x s ASP 25 CO 0.29 -0.43 1.80 0.71 0.52 0.00 0.00 175.17 178.06 1w5x h THR 26 N 6.50 0.00 -0.00 1.71 1.35 -1.93 -2.18 112.91 118.35 1w5x h THR 26 Ca -0.07 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1w5x h THR 26 Cb 1.03 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1w5x h THR 26 CO 0.59 0.00 -0.19 0.61 -0.25 0.00 0.00 175.52 176.27 1w5x n GLY 27 N -0.11 -0.98 3.64 5.82 0.00 -1.26 -4.78 105.19 107.52 1w5x n GLY 27 Ca 0.01 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1w5x n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w5x s ALA 28 N -2.62 3.58 0.13 4.61 0.00 -0.82 -4.97 121.76 121.67 1w5x s ALA 28 Ca 0.23 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1w5x s ALA 28 Cb 0.19 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1w5x s ALA 28 CO 0.53 -0.32 1.48 -0.44 0.00 0.00 0.00 175.76 177.01 1w5x h ASP 29 N 7.73 0.91 -0.80 0.00 3.32 -1.86 0.11 116.42 125.83 1w5x h ASP 29 Ca -0.37 -0.44 -0.62 0.00 0.02 0.00 0.00 57.03 55.63 1w5x h ASP 29 Cb 1.17 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 40.38 1w5x h ASP 29 CO 0.64 1.16 -0.45 -1.81 -1.72 0.00 0.00 179.24 177.06 1w5x s ASP 30 N -6.67 4.35 -0.18 6.45 1.01 -1.26 -2.47 116.67 117.89 1w5x s ASP 30 Ca -0.12 -1.37 -0.05 0.00 0.71 0.00 0.00 52.55 51.73 1w5x s ASP 30 Cb 0.11 0.19 -0.03 0.00 1.01 0.00 0.00 42.92 44.20 1w5x s ASP 30 CO 0.86 -0.84 0.00 -0.89 0.21 0.00 0.00 175.17 174.51 1w5x s THR 31 N -2.77 4.13 -0.04 -1.27 2.01 -1.26 -3.00 115.64 113.44 1w5x s THR 31 Ca 0.25 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1w5x s THR 31 Cb 0.01 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.69 1w5x s THR 31 CO 0.14 0.45 -0.06 0.54 -0.69 0.00 0.00 174.62 175.01 1w5x s VAL 32 N 0.66 0.60 0.20 3.82 0.11 -0.65 -0.19 120.40 124.95 1w5x s VAL 32 Ca -0.00 -0.18 0.11 0.00 -2.93 0.00 0.00 61.98 58.97 1w5x s VAL 32 Cb -0.14 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1w5x s VAL 32 CO 0.02 0.23 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.07 1w5x s LEU 33 N 0.73 2.61 0.94 2.54 1.43 0.68 -0.50 118.68 127.10 1w5x s LEU 33 Ca -0.10 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.09 1w5x s LEU 33 Cb -0.13 -1.30 0.16 0.00 0.03 0.00 0.00 46.19 44.94 1w5x s LEU 33 CO 0.01 0.10 1.14 -1.83 0.23 0.00 0.00 176.35 176.00 1w5x s GLU 34 N -2.82 0.84 0.01 1.70 -1.05 -1.26 -1.60 118.70 114.52 1w5x s GLU 34 Ca 0.23 1.52 -0.39 0.00 -0.15 0.00 0.00 54.97 56.18 1w5x s GLU 34 Cb -0.08 -1.71 -0.19 0.00 -0.44 0.00 0.00 34.13 31.72 1w5x s GLU 34 CO 0.12 -2.75 1.20 0.39 0.95 0.00 0.00 175.26 175.18 1w5x n GLU 35 N -4.31 0.46 -3.62 -4.83 -0.58 -1.19 -4.55 120.64 102.02 1w5x n GLU 35 Ca 0.11 0.16 -0.06 0.00 -0.42 0.00 0.00 57.16 56.96 1w5x n GLU 35 Cb 0.52 -1.72 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 1w5x n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1w5x s MET 36 N 0.35 1.01 -0.15 3.49 0.23 -1.26 -5.03 119.30 117.94 1w5x s MET 36 Ca 0.89 -0.48 -0.17 0.00 -1.03 0.00 0.00 55.69 54.91 1w5x s MET 36 Cb -1.15 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 32.50 1w5x s MET 36 CO 0.54 -0.45 0.42 0.45 -2.03 0.00 0.00 175.02 173.94 1w5x s SER 37 N -2.71 6.56 0.09 -1.18 0.15 -1.26 -5.04 113.70 110.31 1w5x s SER 37 Ca 0.08 0.67 0.06 0.00 0.70 0.00 0.00 55.95 57.46 1w5x s SER 37 Cb -0.01 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 62.02 1w5x s SER 37 CO -0.04 -0.00 -0.16 -0.76 1.20 0.00 0.00 173.24 173.48 1w5x s LEU 38 N 0.80 2.32 0.61 3.45 1.43 -1.26 -5.01 118.68 121.02 1w5x s LEU 38 Ca 0.22 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 1w5x s LEU 38 Cb -0.14 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 1w5x s LEU 38 CO 0.08 -0.05 1.03 -2.16 0.23 0.00 0.00 176.35 175.47 1w5x s PRO 39 N -2.04 3.55 0.00 1.29 0.04 -1.26 -4.95 135.00 131.63 1w5x s PRO 39 Ca 0.03 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1w5x s PRO 39 Cb -0.09 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1w5x s PRO 39 CO 0.03 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1w5x n GLY 40 N -2.33 -0.48 3.92 0.56 0.00 -1.26 -4.97 105.19 100.62 1w5x n GLY 40 Ca 0.06 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 1w5x n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w5x s ARG 41 N -1.10 2.85 0.09 1.61 3.52 -1.26 -5.10 118.95 119.56 1w5x s ARG 41 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.56 1w5x s ARG 41 Cb 0.00 -2.26 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 1w5x s ARG 41 CO 0.00 -0.76 0.01 1.67 -0.81 0.00 0.00 175.30 175.41 1w5x s TRP 42 N -3.02 0.69 -0.00 5.12 1.48 -1.26 -4.63 118.94 117.31 1w5x s TRP 42 Ca 0.55 -1.15 0.07 0.00 -1.06 0.00 0.00 56.10 54.51 1w5x s TRP 42 Cb -0.11 -0.43 -0.02 0.00 -1.16 0.00 0.00 33.47 31.75 1w5x s TRP 42 CO 0.45 -0.45 -0.22 0.15 -4.06 0.00 0.00 176.95 172.82 1w5x s LYS 43 N -3.98 1.73 0.44 3.25 1.02 -0.56 -4.88 119.74 116.76 1w5x s LYS 43 Ca 0.15 -0.84 -0.22 0.00 0.02 0.00 0.00 55.97 55.08 1w5x s LYS 43 Cb 0.08 -1.72 -0.09 0.00 -0.52 0.00 0.00 37.83 35.58 1w5x s LYS 43 CO -0.04 0.46 1.04 -1.25 -0.92 0.00 0.00 175.35 174.64 1w5x s PRO 44 N -0.67 4.03 0.05 -1.68 0.04 -1.26 0.34 135.00 135.83 1w5x s PRO 44 Ca 0.09 1.42 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 1w5x s PRO 44 Cb -0.09 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.14 1w5x s PRO 44 CO -0.00 -0.25 0.32 0.21 0.04 0.00 0.00 177.00 177.32 1w5x s LYS 45 N -2.84 0.83 -0.14 4.56 2.20 -0.55 -4.86 119.74 118.95 1w5x s LYS 45 Ca 0.62 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 1w5x s LYS 45 Cb -0.19 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.49 1w5x s LYS 45 CO 0.23 -0.27 -0.15 1.41 -0.36 0.00 0.00 175.35 176.21 1w5x s MET 46 N -2.62 3.26 -0.02 4.03 -2.45 -1.26 -0.77 119.30 119.47 1w5x s MET 46 Ca -0.04 -0.74 0.07 0.00 -1.25 0.00 0.00 55.69 53.72 1w5x s MET 46 Cb -0.01 -2.59 -0.02 0.00 1.25 0.00 0.00 34.83 33.47 1w5x s MET 46 CO -0.04 0.11 -0.23 0.96 1.05 0.00 0.00 175.02 176.88 1w5x s ILE 47 N 0.58 1.81 0.00 10.11 -4.36 -0.69 -4.95 121.20 123.69 1w5x s ILE 47 Ca -0.09 -0.97 0.07 0.00 -0.26 0.00 0.00 60.65 59.40 1w5x s ILE 47 Cb -0.16 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 42.02 1w5x s ILE 47 CO 0.03 0.51 -0.20 -0.83 0.24 0.00 0.00 174.94 174.69 1w5x s GLY 48 N -0.45 1.45 0.00 6.27 0.00 -1.26 -1.27 107.32 112.06 1w5x s GLY 48 Ca 0.06 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1w5x s GLY 48 CO -0.00 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.74 1w5x n GLY 49 N 2.03 4.71 3.72 0.20 0.00 -0.11 -4.97 105.19 110.78 1w5x n GLY 49 Ca -0.16 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1w5x n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w5x s ILE 50 N -0.38 2.98 0.00 -0.61 1.09 -1.26 -2.16 121.20 120.86 1w5x s ILE 50 Ca 0.00 0.74 0.00 0.00 -1.10 0.00 0.00 60.65 60.29 1w5x s ILE 50 Cb 0.00 -3.47 0.00 0.00 -1.06 0.00 0.00 42.46 37.93 1w5x s ILE 50 CO 0.00 0.08 0.00 0.61 -0.10 0.00 0.00 174.94 175.53 1w5x n GLY 51 N 3.16 3.43 0.00 6.18 0.00 -1.26 -4.95 105.19 111.75 1w5x n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1w5x n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w5x n GLY 52 N -1.77 0.63 3.73 -0.02 0.00 -0.92 -5.09 105.19 101.75 1w5x n GLY 52 Ca 0.00 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 1w5x n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w5x s PHE 53 N -1.30 2.97 0.07 1.61 0.40 -1.26 -0.93 117.98 119.53 1w5x s PHE 53 Ca 0.00 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 1w5x s PHE 53 Cb 0.00 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1w5x s PHE 53 CO 0.00 0.53 -0.10 0.96 0.70 0.00 0.00 175.22 177.31 1w5x s ILE 54 N -1.84 0.78 -0.12 0.64 -4.36 -0.39 -4.96 121.20 110.96 1w5x s ILE 54 Ca 0.30 -1.33 -0.16 0.00 -0.26 0.00 0.00 60.65 59.19 1w5x s ILE 54 Cb -0.09 -0.97 -0.04 0.00 1.25 0.00 0.00 42.46 42.60 1w5x s ILE 54 CO 0.21 -0.42 0.41 -0.75 0.24 0.00 0.00 174.94 174.63 1w5x s LYS 55 N -2.07 4.27 0.28 0.37 2.20 -1.26 -1.71 119.74 121.82 1w5x s LYS 55 Ca -0.03 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.95 1w5x s LYS 55 Cb -0.07 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.78 1w5x s LYS 55 CO 0.00 0.23 0.05 0.14 -0.36 0.00 0.00 175.35 175.41 1w5x s VAL 56 N 0.41 1.01 -0.18 4.02 -7.23 0.05 -4.42 120.40 114.06 1w5x s VAL 56 Ca 0.23 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1w5x s VAL 56 Cb -0.15 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1w5x s VAL 56 CO 0.09 -0.11 0.02 -0.13 -0.31 0.00 0.00 175.10 174.66 1w5x s ARG 57 N -3.91 3.77 -0.27 4.82 0.52 0.12 -1.48 118.95 122.52 1w5x s ARG 57 Ca 0.34 -0.45 -0.14 0.00 -0.52 0.00 0.00 55.73 54.96 1w5x s ARG 57 Cb 0.07 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1w5x s ARG 57 CO 0.13 0.17 0.35 -1.14 0.02 0.00 0.00 175.30 174.84 1w5x s GLN 58 N 0.60 4.02 -0.09 3.54 0.74 0.15 -0.65 119.66 127.97 1w5x s GLN 58 Ca 0.00 0.01 0.01 0.00 0.05 0.00 0.00 55.36 55.44 1w5x s GLN 58 Cb -0.14 -3.65 -0.02 0.00 1.10 0.00 0.00 33.01 30.30 1w5x s GLN 58 CO 0.02 -0.25 -0.13 0.71 -0.55 0.00 0.00 175.29 175.09 1w5x s TYR 59 N 1.99 2.78 0.32 1.67 1.51 -0.20 -1.49 117.35 123.93 1w5x s TYR 59 Ca 0.14 -0.34 0.07 0.00 -1.01 0.00 0.00 57.07 55.94 1w5x s TYR 59 Cb -0.16 -1.74 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1w5x s TYR 59 CO 0.10 0.04 0.27 -0.51 -1.11 0.00 0.00 175.55 174.34 1w5x s ASP 60 N -0.26 5.31 -1.53 2.29 1.01 -1.26 -0.55 116.67 121.68 1w5x s ASP 60 Ca 0.02 -0.46 -0.13 0.00 0.71 0.00 0.00 52.55 52.69 1w5x s ASP 60 Cb -0.13 -1.04 0.08 0.00 1.01 0.00 0.00 42.92 42.84 1w5x s ASP 60 CO 0.03 -0.30 0.95 0.00 0.21 0.00 0.00 175.17 176.06 1w5x n GLN 61 N -1.33 -5.34 -3.34 8.23 3.00 -1.22 -4.92 117.38 112.45 1w5x n GLN 61 Ca -0.03 0.58 -0.38 0.00 -0.01 0.00 0.00 57.00 57.16 1w5x n GLN 61 Cb 0.59 -5.44 -0.06 0.00 0.00 0.00 0.00 30.24 25.34 1w5x n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1w5x s ILE 62 N -3.34 4.95 -0.12 5.09 -1.09 -0.22 -4.80 121.20 121.67 1w5x s ILE 62 Ca 0.61 1.06 -0.17 0.00 -2.23 0.00 0.00 60.65 59.92 1w5x s ILE 62 Cb -0.31 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.69 1w5x s ILE 62 CO 0.84 0.49 0.44 -0.22 -1.23 0.00 0.00 174.94 175.25 1w5x s LEU 63 N -0.57 4.29 0.02 2.97 2.96 -1.26 -1.50 118.68 125.59 1w5x s LEU 63 Ca 0.27 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.97 1w5x s LEU 63 Cb -0.18 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 1w5x s LEU 63 CO 0.15 0.05 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.54 1w5x s ILE 64 N 0.44 0.43 -0.20 6.68 1.01 0.46 -4.51 121.20 125.51 1w5x s ILE 64 Ca 0.24 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1w5x s ILE 64 Cb -0.15 -0.47 -0.00 0.00 0.01 0.00 0.00 42.46 41.85 1w5x s ILE 64 CO 0.09 -0.24 -0.09 -1.61 0.00 0.00 0.00 174.94 173.10 1w5x s GLU 65 N -1.08 3.31 -0.29 2.79 2.02 -0.40 0.09 118.70 125.13 1w5x s GLU 65 Ca -0.07 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.25 1w5x s GLU 65 Cb -0.07 -2.86 0.06 0.00 0.10 0.00 0.00 34.13 31.35 1w5x s GLU 65 CO 0.00 -0.12 -0.02 0.42 0.02 0.00 0.00 175.26 175.55 1w5x s ILE 66 N 1.24 2.74 -1.44 -1.63 1.01 0.80 -1.11 121.20 122.82 1w5x s ILE 66 Ca 0.03 -1.52 -0.08 0.00 0.00 0.00 0.00 60.65 59.08 1w5x s ILE 66 Cb -0.14 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.76 1w5x s ILE 66 CO -0.04 -0.13 0.84 0.00 0.00 0.00 0.00 174.94 175.62 1w5x n GLY 68 N -1.66 2.54 3.65 0.00 0.00 -1.26 -5.00 105.19 103.45 1w5x n GLY 68 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1w5x n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w5x s HIS 69 N -2.49 3.34 0.02 1.61 4.02 -0.08 -5.05 115.29 116.67 1w5x s HIS 69 Ca 0.00 0.73 -0.28 0.00 1.02 0.00 0.00 55.06 56.53 1w5x s HIS 69 Cb 0.00 -2.68 -0.04 0.00 -1.02 0.00 0.00 32.58 28.84 1w5x s HIS 69 CO 0.00 -0.15 0.88 0.15 1.02 0.00 0.00 174.74 176.65 1w5x s LYS 70 N 1.80 4.55 0.05 1.40 1.02 -1.26 -0.14 119.74 127.16 1w5x s LYS 70 Ca 0.23 1.26 0.02 0.00 0.02 0.00 0.00 55.97 57.50 1w5x s LYS 70 Cb -0.15 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 1w5x s LYS 70 CO 0.09 0.08 -0.07 0.00 -0.92 0.00 0.00 175.35 174.54 1w5x s ALA 71 N 0.58 0.58 -0.03 5.17 0.00 0.11 -4.87 121.76 123.30 1w5x s ALA 71 Ca 0.46 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1w5x s ALA 71 Cb -0.21 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 1w5x s ALA 71 CO 0.26 -0.10 -0.15 0.42 0.00 0.00 0.00 175.76 176.19 1w5x s ILE 72 N -1.94 1.22 -0.66 0.00 1.01 -1.26 -0.41 121.20 119.16 1w5x s ILE 72 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1w5x s ILE 72 Cb -0.06 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1w5x s ILE 72 CO -0.01 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1w5x n GLY 73 N 3.05 -1.30 3.75 6.18 0.00 -0.56 -4.93 105.19 111.38 1w5x n GLY 73 Ca -0.17 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1w5x n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w5x s THR 74 N -2.45 3.93 -0.07 2.61 2.01 -1.26 -1.06 115.64 119.35 1w5x s THR 74 Ca 0.00 1.81 0.02 0.00 0.31 0.00 0.00 61.69 63.82 1w5x s THR 74 Cb 0.00 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.37 1w5x s THR 74 CO 0.00 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.51 1w5x s VAL 75 N -0.75 1.00 -0.03 3.82 1.01 0.29 -4.44 120.40 121.30 1w5x s VAL 75 Ca 0.45 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1w5x s VAL 75 Cb -0.28 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1w5x s VAL 75 CO 0.35 0.33 0.18 -0.76 0.00 0.00 0.00 175.10 175.20 1w5x s LEU 76 N 0.81 4.37 -0.08 3.92 1.43 0.74 -1.03 118.68 128.84 1w5x s LEU 76 Ca -0.12 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1w5x s LEU 76 Cb -0.15 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.55 1w5x s LEU 76 CO 0.02 0.29 -0.13 -0.69 0.23 0.00 0.00 176.35 176.06 1w5x s VAL 77 N -1.28 1.27 -0.00 -1.59 1.01 0.18 -0.23 120.40 119.76 1w5x s VAL 77 Ca 0.25 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1w5x s VAL 77 Cb -0.13 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1w5x s VAL 77 CO 0.16 0.39 0.19 0.61 0.00 0.00 0.00 175.10 176.45 1w5x n GLY 78 N 3.97 0.56 2.28 4.51 0.00 -0.63 0.14 105.19 116.02 1w5x n GLY 78 Ca -0.21 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 1w5x n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1w5x n PRO 79 N -0.14 1.30 -2.86 1.61 -0.04 -1.26 -3.16 135.00 130.45 1w5x n PRO 79 Ca 0.01 -0.72 -0.40 0.00 -0.04 0.00 0.00 63.50 62.35 1w5x n PRO 79 Cb 0.09 -1.89 -0.06 0.00 -0.04 0.00 0.00 33.50 31.60 1w5x n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1w5x s THR 80 N 2.10 4.36 0.39 0.52 -1.32 -1.26 -4.94 115.64 115.49 1w5x s THR 80 Ca 0.39 1.89 0.31 0.00 -1.21 0.00 0.00 61.69 63.06 1w5x s THR 80 Cb 0.17 -4.23 0.33 0.00 -1.51 0.00 0.00 72.50 67.26 1w5x s THR 80 CO -0.01 0.45 2.10 1.55 -2.21 0.00 0.00 174.62 176.50 1w5x h PRO 81 N 4.74 0.00 -3.15 7.08 0.13 -1.98 -3.42 132.00 135.39 1w5x h PRO 81 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1w5x h PRO 81 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1w5x h PRO 81 CO 0.69 0.08 -0.31 0.54 -0.23 0.00 0.00 178.00 178.77 1w5x s VAL 82 N -4.08 0.07 0.11 1.56 0.11 -1.26 -5.08 120.40 111.83 1w5x s VAL 82 Ca -0.02 -0.55 -0.31 0.00 -2.93 0.00 0.00 61.98 58.17 1w5x s VAL 82 Cb 0.12 -0.64 -0.07 0.00 -1.53 0.00 0.00 36.38 34.26 1w5x s VAL 82 CO 0.55 -0.30 1.31 0.20 -3.33 0.00 0.00 175.10 173.53 1w5x s ASN 83 N -1.46 6.93 -0.12 3.54 0.01 -1.26 -4.74 114.94 117.83 1w5x s ASN 83 Ca -0.12 2.23 0.03 0.00 -0.71 0.00 0.00 52.86 54.28 1w5x s ASN 83 Cb -0.05 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1w5x s ASN 83 CO 0.03 -0.56 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.22 1w5x s ILE 84 N 0.89 1.90 -0.41 0.60 1.01 0.34 -0.91 121.20 124.61 1w5x s ILE 84 Ca 0.61 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 1w5x s ILE 84 Cb -0.34 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.48 1w5x s ILE 84 CO 0.31 0.52 0.30 -0.63 0.00 0.00 0.00 174.94 175.44 1w5x s ILE 85 N 0.73 5.16 0.62 2.92 -1.09 0.29 -1.64 121.20 128.19 1w5x s ILE 85 Ca -0.10 -0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 57.56 1w5x s ILE 85 Cb -0.16 -3.90 0.12 0.00 -1.58 0.00 0.00 42.46 36.94 1w5x s ILE 85 CO 0.01 -0.34 0.85 0.61 -1.23 0.00 0.00 174.94 174.84 1w5x n GLY 86 N 5.14 0.56 0.37 6.18 0.00 -1.16 -1.20 105.19 115.07 1w5x n GLY 86 Ca -0.11 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.03 1w5x n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w5x h ARG 87 N 0.00 0.52 -0.19 1.61 3.08 -0.75 -0.87 114.38 117.78 1w5x h ARG 87 Ca -0.28 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.79 1w5x h ARG 87 Cb 1.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1w5x h ARG 87 CO 0.29 0.34 0.17 -2.95 -1.07 0.00 0.00 179.97 176.76 1w5x h ASN 88 N 0.53 0.00 0.00 7.04 -1.07 -1.75 -1.78 115.58 118.55 1w5x h ASN 88 Ca 0.35 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.46 1w5x h ASN 88 Cb 0.63 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.83 1w5x h ASN 88 CO -0.12 0.00 -1.99 0.18 0.07 0.00 0.00 177.43 175.57 1w5x n LEU 89 N -4.08 0.00 -0.12 6.14 4.77 -0.79 -4.40 117.00 118.53 1w5x n LEU 89 Ca 0.02 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1w5x n LEU 89 Cb 0.30 0.35 0.32 0.00 -2.33 0.00 0.00 43.42 42.06 1w5x n LEU 89 CO 0.31 0.35 1.19 -0.07 -1.33 0.00 0.00 177.39 177.84 1w5x h LEU 90 N 0.00 0.69 -0.93 2.23 3.38 -0.79 -1.73 115.31 118.16 1w5x h LEU 90 Ca -0.39 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1w5x h LEU 90 Cb 1.87 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 1w5x h LEU 90 CO 0.02 0.52 0.17 0.71 0.09 0.00 0.00 178.44 179.95 1w5x h THR 91 N 0.81 1.24 0.00 0.22 1.35 -1.56 -1.52 112.91 113.45 1w5x h THR 91 Ca 0.22 -0.85 -0.04 0.00 -0.55 0.00 0.00 66.41 65.19 1w5x h THR 91 Cb -0.06 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 1w5x h THR 91 CO -0.04 0.32 -0.18 1.56 -0.25 0.00 0.00 175.52 176.93 1w5x h GLN 92 N 0.92 0.00 -0.30 4.72 1.08 -1.52 -1.57 115.11 118.44 1w5x h GLN 92 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1w5x h GLN 92 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1w5x h GLN 92 CO -0.00 0.18 0.00 0.44 -0.95 0.00 0.00 178.83 178.49 1w5x n ILE 93 N -3.87 0.38 -2.41 2.54 -5.35 -1.07 -4.93 119.36 104.65 1w5x n ILE 93 Ca -0.02 -0.59 -0.09 0.00 -0.27 0.00 0.00 62.75 61.79 1w5x n ILE 93 Cb 0.27 0.75 0.01 0.00 -1.74 0.00 0.00 39.64 38.93 1w5x n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1w5x n GLY 94 N 1.36 0.14 3.73 3.28 0.00 -0.59 -5.00 105.19 108.10 1w5x n GLY 94 Ca 0.18 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1w5x n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w5x s THR 96 N 0.20 0.76 -0.16 0.00 -4.23 -1.26 -4.69 115.64 106.27 1w5x s THR 96 Ca 0.47 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.93 1w5x s THR 96 Cb -0.22 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1w5x s THR 96 CO 0.28 -0.73 0.09 -0.76 -0.54 0.00 0.00 174.62 172.96 1w5x s LEU 97 N -3.10 4.05 -0.01 4.79 1.02 -1.26 -5.08 118.68 119.08 1w5x s LEU 97 Ca 0.16 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.56 1w5x s LEU 97 Cb 0.05 -2.01 -0.00 0.00 0.02 0.00 0.00 46.19 44.25 1w5x s LEU 97 CO -0.01 0.25 -0.06 0.20 0.02 0.00 0.00 176.35 176.75 1w5x s ASN 98 N -0.10 0.71 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.42 1w5x s ASN 98 Ca 0.08 -0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.27 1w5x s ASN 98 Cb -0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.01 1w5x s ASN 98 CO 0.01 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.82