#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2z54 s GLN 2 N 0.00 4.30 -0.20 0.54 0.74 -1.26 -5.06 119.66 118.72 2z54 s GLN 2 Ca 0.00 0.60 0.01 0.00 0.05 0.00 0.00 55.36 56.02 2z54 s GLN 2 Cb 0.00 -3.38 0.04 0.00 1.10 0.00 0.00 33.01 30.77 2z54 s GLN 2 CO 0.00 0.29 -0.13 0.42 -0.55 0.00 0.00 175.29 175.32 2z54 s ILE 3 N 0.14 1.82 0.71 -2.34 1.01 -1.26 -5.12 121.20 116.16 2z54 s ILE 3 Ca 0.29 -1.09 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 2z54 s ILE 3 Cb -0.17 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.50 2z54 s ILE 3 CO 0.14 0.23 1.08 0.42 0.00 0.00 0.00 174.94 176.81 2z54 s THR 4 N 1.33 3.12 -0.16 2.92 -4.23 -1.26 -5.02 115.64 112.33 2z54 s THR 4 Ca -0.01 0.26 0.17 0.00 -1.18 0.00 0.00 61.69 60.93 2z54 s THR 4 Cb -0.16 -3.34 0.43 0.00 1.34 0.00 0.00 72.50 70.77 2z54 s THR 4 CO -0.09 -0.43 1.31 0.18 -0.54 0.00 0.00 174.62 175.05 2z54 n LEU 5 N -3.00 3.25 0.20 4.79 4.77 -1.26 -4.49 117.00 121.25 2z54 n LEU 5 Ca 0.07 -3.07 0.04 0.00 -0.03 0.00 0.00 56.01 53.01 2z54 n LEU 5 Cb 0.58 -0.50 0.40 0.00 -2.33 0.00 0.00 43.42 41.57 2z54 n LEU 5 CO 0.56 0.71 0.76 -0.50 -1.33 0.00 0.00 177.39 177.59 2z54 h TRP 6 N 1.03 0.00 -1.73 -1.77 4.06 -2.06 -3.43 115.95 112.05 2z54 h TRP 6 Ca 0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.37 2z54 h TRP 6 Cb 1.26 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 29.32 2z54 h TRP 6 CO 0.30 0.33 -0.57 -0.65 -3.56 0.00 0.00 178.44 174.30 2z54 s GLN 7 N -4.25 2.10 0.10 0.49 -1.52 -1.26 -5.10 119.66 110.22 2z54 s GLN 7 Ca -0.03 -1.88 -0.35 0.00 -1.95 0.00 0.00 55.36 51.15 2z54 s GLN 7 Cb 0.14 -1.87 -0.15 0.00 -0.22 0.00 0.00 33.01 30.92 2z54 s GLN 7 CO 0.71 -0.01 1.54 0.54 -0.25 0.00 0.00 175.29 177.82 2z54 n ARG 8 N -1.07 1.81 -1.90 2.91 1.74 -1.26 -4.89 116.66 114.01 2z54 n ARG 8 Ca -0.03 0.66 -0.39 0.00 -0.77 0.00 0.00 57.85 57.31 2z54 n ARG 8 Cb 0.64 -2.39 -0.03 0.00 -1.02 0.00 0.00 32.46 29.66 2z54 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2z54 n PRO 9 N 3.54 2.29 -3.38 5.56 -0.04 -1.26 -4.94 135.00 136.77 2z54 n PRO 9 Ca 0.18 -2.56 -0.38 0.00 -0.04 0.00 0.00 63.50 60.70 2z54 n PRO 9 Cb 0.25 -3.37 -0.07 0.00 -0.04 0.00 0.00 33.50 30.28 2z54 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2z54 s LEU 10 N 4.77 4.23 0.24 1.53 1.43 -1.26 -0.76 118.68 128.86 2z54 s LEU 10 Ca 0.57 0.66 0.09 0.00 -1.03 0.00 0.00 54.13 54.43 2z54 s LEU 10 Cb 0.08 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2z54 s LEU 10 CO 0.07 -0.01 -0.16 0.68 0.23 0.00 0.00 176.35 177.16 2z54 s VAL 11 N 0.81 2.03 -0.07 -1.59 -7.23 0.33 -4.90 120.40 109.78 2z54 s VAL 11 Ca 0.22 -2.29 -0.24 0.00 -1.81 0.00 0.00 61.98 57.87 2z54 s VAL 11 Cb -0.14 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2z54 s VAL 11 CO 0.08 -0.50 0.72 -0.89 -0.31 0.00 0.00 175.10 174.19 2z54 s THR 12 N -2.79 5.03 0.19 5.32 2.01 -1.26 -1.09 115.64 123.04 2z54 s THR 12 Ca 0.26 1.48 0.11 0.00 0.31 0.00 0.00 61.69 63.84 2z54 s THR 12 Cb -0.02 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2z54 s THR 12 CO 0.10 0.24 -0.22 0.27 -0.69 0.00 0.00 174.62 174.31 2z54 s ILE 13 N 0.88 2.46 -0.15 1.82 -4.36 0.73 -1.32 121.20 121.26 2z54 s ILE 13 Ca 0.38 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 2z54 s ILE 13 Cb -0.18 -2.18 0.02 0.00 1.25 0.00 0.00 42.46 41.37 2z54 s ILE 13 CO 0.18 -0.10 -0.17 -0.75 0.24 0.00 0.00 174.94 174.35 2z54 s LYS 14 N -2.64 2.56 -0.07 0.37 2.20 -0.01 -1.23 119.74 120.91 2z54 s LYS 14 Ca 0.21 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 55.12 2z54 s LYS 14 Cb -0.08 -2.22 0.04 0.00 -1.51 0.00 0.00 37.83 34.06 2z54 s LYS 14 CO 0.10 -0.16 0.16 -1.50 -0.36 0.00 0.00 175.35 173.58 2z54 s ILE 15 N 1.24 -0.06 -1.53 5.43 2.07 -0.07 -0.92 121.20 127.36 2z54 s ILE 15 Ca 0.01 0.19 -0.14 0.00 -1.41 0.00 0.00 60.65 59.30 2z54 s ILE 15 Cb -0.14 -0.26 0.08 0.00 0.13 0.00 0.00 42.46 42.28 2z54 s ILE 15 CO -0.08 0.08 0.99 0.61 -1.91 0.00 0.00 174.94 174.63 2z54 n GLY 16 N 4.28 -0.50 3.05 1.50 0.00 -1.26 -1.30 105.19 110.95 2z54 n GLY 16 Ca -0.25 0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2z54 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2z54 n GLY 17 N -1.70 2.19 3.66 -0.02 0.00 -1.26 -5.01 105.19 103.04 2z54 n GLY 17 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2z54 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2z54 s GLN 18 N -0.01 2.40 -0.18 1.61 -0.21 -0.42 -5.12 119.66 117.73 2z54 s GLN 18 Ca 0.00 -1.06 -0.07 0.00 0.02 0.00 0.00 55.36 54.26 2z54 s GLN 18 Cb 0.00 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2z54 s GLN 18 CO 0.00 0.47 0.05 -0.51 -2.12 0.00 0.00 175.29 173.18 2z54 s LEU 19 N -2.77 3.73 0.10 2.90 1.43 -1.26 -0.89 118.68 121.92 2z54 s LEU 19 Ca 0.27 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2z54 s LEU 19 Cb -0.10 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2z54 s LEU 19 CO 0.18 0.18 0.01 -0.54 0.23 0.00 0.00 176.35 176.42 2z54 s LYS 20 N 0.32 0.79 -0.13 1.70 1.02 -0.37 -4.99 119.74 118.09 2z54 s LYS 20 Ca 0.02 -1.34 -0.06 0.00 0.02 0.00 0.00 55.97 54.61 2z54 s LYS 20 Cb -0.13 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 2z54 s LYS 20 CO 0.01 -0.19 0.09 -1.21 -0.92 0.00 0.00 175.35 173.13 2z54 s GLU 21 N -3.99 3.45 0.03 1.68 2.02 -1.26 -0.19 118.70 120.44 2z54 s GLU 21 Ca 0.16 -0.25 -0.02 0.00 0.02 0.00 0.00 54.97 54.88 2z54 s GLU 21 Cb 0.08 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 2z54 s GLU 21 CO -0.03 0.64 0.02 0.00 0.02 0.00 0.00 175.26 175.90 2z54 s ALA 22 N -0.66 0.11 -0.17 5.21 0.00 -0.25 -4.47 121.76 121.53 2z54 s ALA 22 Ca 0.12 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 2z54 s ALA 22 Cb -0.12 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2z54 s ALA 22 CO 0.02 -0.24 0.53 -1.17 0.00 0.00 0.00 175.76 174.91 2z54 s LEU 23 N -1.89 4.20 -0.30 0.00 2.96 0.94 -0.51 118.68 124.08 2z54 s LEU 23 Ca -0.09 0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 54.31 2z54 s LEU 23 Cb -0.04 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.89 2z54 s LEU 23 CO -0.03 -0.13 1.29 -0.76 -1.32 0.00 0.00 176.35 175.39 2z54 s LEU 24 N 1.31 3.88 -0.36 -0.68 1.43 0.06 -0.53 118.68 123.79 2z54 s LEU 24 Ca 0.26 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 2z54 s LEU 24 Cb -0.16 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2z54 s LEU 24 CO 0.10 -1.07 0.13 -0.62 0.23 0.00 0.00 176.35 175.13 2z54 s ASP 25 N 2.74 4.05 0.54 2.29 3.68 -0.68 -4.78 116.67 124.51 2z54 s ASP 25 Ca 0.56 -2.04 0.35 0.00 2.13 0.00 0.00 52.55 53.54 2z54 s ASP 25 Cb -0.16 -1.05 1.54 0.00 -1.45 0.00 0.00 42.92 41.79 2z54 s ASP 25 CO 0.23 -0.36 2.03 0.71 0.13 0.00 0.00 175.17 177.90 2z54 h THR 26 N 6.13 0.00 -0.48 1.71 1.35 -1.93 -2.69 112.91 116.99 2z54 h THR 26 Ca -0.08 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2z54 h THR 26 Cb 0.99 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2z54 h THR 26 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2z54 n GLY 27 N -0.22 1.39 3.26 5.82 0.00 -1.26 -4.80 105.19 109.37 2z54 n GLY 27 Ca -0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 2z54 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2z54 s ALA 28 N -1.42 2.61 0.17 4.61 0.00 -1.01 -5.00 121.76 121.72 2z54 s ALA 28 Ca 0.33 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 51.05 2z54 s ALA 28 Cb 0.18 -1.44 0.06 0.00 0.00 0.00 0.00 23.12 21.92 2z54 s ALA 28 CO 0.21 -0.28 1.65 -0.44 0.00 0.00 0.00 175.76 176.90 2z54 h ASP 29 N 7.81 0.98 -1.39 0.00 3.45 -1.87 0.20 116.42 125.60 2z54 h ASP 29 Ca -0.40 -0.28 -0.61 0.00 0.43 0.00 0.00 57.03 56.18 2z54 h ASP 29 Cb 1.16 -0.26 -0.11 0.00 -0.56 0.00 0.00 39.33 39.57 2z54 h ASP 29 CO 0.60 1.01 -0.53 -1.81 -1.57 0.00 0.00 179.24 176.95 2z54 s ASP 30 N -6.43 4.19 -0.23 6.45 1.01 -1.26 -2.63 116.67 117.77 2z54 s ASP 30 Ca -0.12 -1.28 -0.07 0.00 0.71 0.00 0.00 52.55 51.80 2z54 s ASP 30 Cb 0.13 -0.26 -0.03 0.00 1.01 0.00 0.00 42.92 43.77 2z54 s ASP 30 CO 0.84 -0.59 0.05 -0.89 0.21 0.00 0.00 175.17 174.79 2z54 s THR 31 N -2.69 4.22 -0.14 -1.27 2.01 -1.26 -3.00 115.64 113.51 2z54 s THR 31 Ca 0.34 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2z54 s THR 31 Cb 0.05 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.63 2z54 s THR 31 CO 0.18 0.38 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.63 2z54 s VAL 32 N 1.35 1.75 0.02 3.82 1.01 -0.24 -0.71 120.40 127.40 2z54 s VAL 32 Ca 0.05 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.32 2z54 s VAL 32 Cb -0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2z54 s VAL 32 CO 0.03 0.49 -0.13 -0.76 0.00 0.00 0.00 175.10 174.72 2z54 s LEU 33 N 1.20 2.85 1.07 3.92 1.43 0.38 -0.65 118.68 128.88 2z54 s LEU 33 Ca -0.00 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 2z54 s LEU 33 Cb -0.14 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.47 2z54 s LEU 33 CO -0.07 0.27 -0.18 -0.62 0.23 0.00 0.00 176.35 175.98 2z54 n GLU 34 N 1.62 -1.07 -1.69 1.70 1.02 -1.26 -1.55 120.64 119.41 2z54 n GLU 34 Ca -0.16 -0.30 -0.52 0.00 -0.02 0.00 0.00 57.16 56.16 2z54 n GLU 34 Cb 0.52 -1.60 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 2z54 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2z54 n GLU 35 N -1.15 1.74 -3.71 3.49 4.07 -1.16 -4.34 120.64 119.57 2z54 n GLU 35 Ca 0.01 0.64 -0.11 0.00 -0.06 0.00 0.00 57.16 57.64 2z54 n GLU 35 Cb 0.62 -2.41 -0.06 0.00 -0.06 0.00 0.00 31.44 29.53 2z54 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2z54 s MET 36 N 3.79 0.91 -0.67 5.31 0.23 -1.26 -5.05 119.30 122.56 2z54 s MET 36 Ca 0.95 -0.59 -0.27 0.00 -1.03 0.00 0.00 55.69 54.75 2z54 s MET 36 Cb -0.85 0.40 0.01 0.00 -1.53 0.00 0.00 34.83 32.85 2z54 s MET 36 CO 0.57 -0.32 1.47 0.45 -2.03 0.00 0.00 175.02 175.16 2z54 s SER 37 N -2.36 5.90 -0.04 -1.18 0.15 -1.26 -5.01 113.70 109.91 2z54 s SER 37 Ca -0.02 -0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.60 2z54 s SER 37 Cb 0.01 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2z54 s SER 37 CO -0.06 -1.97 -0.23 -0.76 1.20 0.00 0.00 173.24 171.42 2z54 s LEU 38 N 6.74 2.20 0.37 3.45 1.43 -1.26 -4.91 118.68 126.71 2z54 s LEU 38 Ca 0.47 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.92 2z54 s LEU 38 Cb -0.10 -1.40 -0.10 0.00 0.03 0.00 0.00 46.19 44.62 2z54 s LEU 38 CO 0.18 0.29 0.92 -2.84 0.23 0.00 0.00 176.35 175.13 2z54 s PRO 39 N -0.44 4.33 0.00 1.29 0.02 -1.26 -5.01 135.00 133.94 2z54 s PRO 39 Ca 0.05 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.20 2z54 s PRO 39 Cb -0.12 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.94 2z54 s PRO 39 CO 0.01 0.12 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 2z54 n GLY 40 N -0.12 0.22 3.94 0.52 0.00 -1.26 -5.07 105.19 103.42 2z54 n GLY 40 Ca 0.04 -2.30 -0.24 0.00 0.00 0.00 0.00 46.02 43.52 2z54 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2z54 s ARG 41 N -0.21 3.49 0.28 1.61 3.00 -1.26 -5.13 118.95 120.73 2z54 s ARG 41 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 55.73 55.42 2z54 s ARG 41 Cb 0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 34.95 32.24 2z54 s ARG 41 CO 0.00 0.18 0.26 1.67 0.00 0.00 0.00 175.30 177.40 2z54 s TRP 42 N -2.27 1.37 -0.06 -0.53 1.48 -1.26 -4.64 118.94 113.04 2z54 s TRP 42 Ca 0.40 -1.46 0.00 0.00 -1.06 0.00 0.00 56.10 53.98 2z54 s TRP 42 Cb -0.10 -0.53 0.02 0.00 -1.16 0.00 0.00 33.47 31.71 2z54 s TRP 42 CO 0.35 -0.82 -0.04 0.15 -4.06 0.00 0.00 176.95 172.53 2z54 s LYS 43 N -3.70 0.87 0.26 3.25 1.02 -1.01 -4.95 119.74 115.48 2z54 s LYS 43 Ca 0.38 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.99 2z54 s LYS 43 Cb 0.04 -0.97 -0.14 0.00 -0.52 0.00 0.00 37.83 36.24 2z54 s LYS 43 CO 0.20 -0.15 1.18 -0.35 -0.92 0.00 0.00 175.35 175.31 2z54 n PRO 44 N 4.42 1.59 -3.60 -1.68 -0.04 -1.26 -1.67 135.00 132.75 2z54 n PRO 44 Ca -0.19 0.56 -0.11 0.00 -0.04 0.00 0.00 63.50 63.72 2z54 n PRO 44 Cb 0.51 -2.06 -0.04 0.00 -0.04 0.00 0.00 33.50 31.86 2z54 n PRO 44 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2z54 s LYS 45 N -1.05 1.09 -0.17 0.54 2.20 -0.67 -4.89 119.74 116.79 2z54 s LYS 45 Ca 0.64 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 2z54 s LYS 45 Cb -0.70 0.48 0.01 0.00 -1.51 0.00 0.00 37.83 36.11 2z54 s LYS 45 CO 0.56 -0.43 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.31 2z54 s MET 46 N -3.65 3.11 0.05 4.03 -1.94 -1.26 0.58 119.30 120.22 2z54 s MET 46 Ca 0.02 -0.79 -0.10 0.00 -1.71 0.00 0.00 55.69 53.11 2z54 s MET 46 Cb 0.01 -2.61 -0.06 0.00 2.01 0.00 0.00 34.83 34.19 2z54 s MET 46 CO -0.11 -0.09 0.38 0.00 -0.01 0.00 0.00 175.02 175.19 2z54 s ALA 47 N 1.05 3.74 -0.21 3.03 0.00 -0.11 -4.92 121.76 124.33 2z54 s ALA 47 Ca -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2z54 s ALA 47 Cb -0.14 -2.26 0.04 0.00 0.00 0.00 0.00 23.12 20.76 2z54 s ALA 47 CO -0.05 0.56 -0.11 0.20 0.00 0.00 0.00 175.76 176.36 2z54 s GLY 48 N -1.64 1.34 0.00 0.00 0.00 -1.26 -0.70 107.32 105.06 2z54 s GLY 48 Ca 0.31 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2z54 s GLY 48 CO 0.17 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.51 2z54 n GLY 49 N 4.64 5.58 3.68 0.20 0.00 0.05 -5.00 105.19 114.33 2z54 n GLY 49 Ca -0.15 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 2z54 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2z54 s ILE 50 N 1.63 3.78 0.00 -0.61 1.01 -1.26 -3.34 121.20 122.42 2z54 s ILE 50 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.73 2z54 s ILE 50 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2z54 s ILE 50 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.51 2z54 n GLY 51 N 3.77 0.69 0.00 6.18 0.00 -1.26 -4.97 105.19 109.61 2z54 n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2z54 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2z54 n GLY 52 N -2.00 0.45 3.30 -0.02 0.00 -1.21 -5.10 105.19 100.61 2z54 n GLY 52 Ca 0.00 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 2z54 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2z54 s PHE 53 N -1.72 2.27 -0.07 1.61 -0.71 -1.26 -0.77 117.98 117.32 2z54 s PHE 53 Ca 0.00 -0.43 0.03 0.00 -1.04 0.00 0.00 56.93 55.49 2z54 s PHE 53 Cb 0.00 -1.45 -0.02 0.00 -1.21 0.00 0.00 43.02 40.33 2z54 s PHE 53 CO 0.00 -0.03 -0.13 0.14 -1.34 0.00 0.00 175.22 173.86 2z54 s VAL 54 N -0.61 3.12 0.03 -2.49 -7.23 0.12 -4.97 120.40 108.38 2z54 s VAL 54 Ca 0.10 -0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 2z54 s VAL 54 Cb -0.10 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 2z54 s VAL 54 CO -0.01 0.58 1.34 -1.59 -0.31 0.00 0.00 175.10 175.11 2z54 s LYS 55 N -0.51 4.33 0.32 4.82 0.00 -1.26 -0.94 119.74 126.49 2z54 s LYS 55 Ca 0.07 1.92 0.07 0.00 0.00 0.00 0.00 55.97 58.03 2z54 s LYS 55 Cb -0.12 -3.46 -0.06 0.00 0.00 0.00 0.00 37.83 34.19 2z54 s LYS 55 CO 0.02 -0.47 -0.05 0.14 0.00 0.00 0.00 175.35 174.98 2z54 s VAL 56 N 1.84 1.83 -0.17 1.79 -7.23 0.20 -4.44 120.40 114.22 2z54 s VAL 56 Ca 0.62 -2.13 -0.08 0.00 -1.81 0.00 0.00 61.98 58.59 2z54 s VAL 56 Cb -0.31 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 2z54 s VAL 56 CO 0.27 -0.21 0.08 -0.13 -0.31 0.00 0.00 175.10 174.80 2z54 s ARG 57 N -3.70 3.92 -0.35 4.82 0.52 -0.12 -1.67 118.95 122.38 2z54 s ARG 57 Ca 0.32 -0.29 -0.11 0.00 -0.52 0.00 0.00 55.73 55.12 2z54 s ARG 57 Cb 0.04 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.28 2z54 s ARG 57 CO 0.14 0.36 0.20 -1.14 0.02 0.00 0.00 175.30 174.89 2z54 s GLN 58 N 0.14 3.18 -0.18 3.54 0.74 -0.67 -0.80 119.66 125.60 2z54 s GLN 58 Ca 0.06 -0.84 -0.08 0.00 0.05 0.00 0.00 55.36 54.55 2z54 s GLN 58 Cb -0.12 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.24 2z54 s GLN 58 CO 0.00 -0.54 0.09 0.71 -0.55 0.00 0.00 175.29 175.00 2z54 s TYR 59 N 1.63 3.32 0.23 1.67 2.02 -0.54 -2.40 117.35 123.27 2z54 s TYR 59 Ca 0.04 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 2z54 s TYR 59 Cb -0.18 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2z54 s TYR 59 CO 0.08 0.23 0.40 -0.51 -1.57 0.00 0.00 175.55 174.18 2z54 s ASP 60 N 0.28 6.34 -1.42 2.29 1.11 -1.26 -1.04 116.67 122.96 2z54 s ASP 60 Ca 0.05 0.29 -0.09 0.00 0.18 0.00 0.00 52.55 52.99 2z54 s ASP 60 Cb -0.12 -1.96 0.01 0.00 1.07 0.00 0.00 42.92 41.92 2z54 s ASP 60 CO -0.00 -0.08 0.29 0.00 1.18 0.00 0.00 175.17 176.55 2z54 n GLN 61 N -1.04 -1.33 -3.34 8.23 10.64 -1.13 -4.86 117.38 124.55 2z54 n GLN 61 Ca -0.06 0.18 -0.38 0.00 -1.83 0.00 0.00 57.00 54.91 2z54 n GLN 61 Cb 0.55 -3.59 -0.06 0.00 -0.86 0.00 0.00 30.24 26.28 2z54 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2z54 s ILE 62 N -4.05 5.17 0.11 -0.39 -1.09 0.14 -4.66 121.20 116.43 2z54 s ILE 62 Ca 0.14 0.92 -0.30 0.00 -2.23 0.00 0.00 60.65 59.17 2z54 s ILE 62 Cb -0.07 -3.80 -0.06 0.00 -1.58 0.00 0.00 42.46 36.95 2z54 s ILE 62 CO 0.96 0.36 1.15 -0.22 -1.23 0.00 0.00 174.94 175.96 2z54 s LEU 63 N 0.43 4.42 -0.01 2.97 2.96 -1.26 -1.56 118.68 126.63 2z54 s LEU 63 Ca 0.25 2.04 0.01 0.00 -0.22 0.00 0.00 54.13 56.22 2z54 s LEU 63 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 2z54 s LEU 63 CO 0.10 -0.36 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.10 2z54 s ILE 64 N 0.48 0.39 -0.30 6.68 1.01 -0.23 -4.33 121.20 124.90 2z54 s ILE 64 Ca 0.54 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.95 2z54 s ILE 64 Cb -0.29 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 41.83 2z54 s ILE 64 CO 0.32 0.13 0.08 -1.61 0.00 0.00 0.00 174.94 173.86 2z54 s GLU 65 N 0.10 3.10 -0.30 2.79 2.02 -0.10 -1.28 118.70 125.04 2z54 s GLU 65 Ca -0.01 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.08 2z54 s GLU 65 Cb -0.04 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.83 2z54 s GLU 65 CO -0.00 -0.44 0.04 0.42 0.02 0.00 0.00 175.26 175.30 2z54 s ILE 66 N 1.50 3.53 -1.57 -1.63 1.01 -0.30 -0.83 121.20 122.92 2z54 s ILE 66 Ca 0.03 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 2z54 s ILE 66 Cb -0.17 -2.90 0.15 0.00 0.01 0.00 0.00 42.46 39.55 2z54 s ILE 66 CO 0.03 0.00 0.65 0.00 0.00 0.00 0.00 174.94 175.62 2z54 n GLY 68 N -1.23 0.52 3.19 0.00 0.00 -1.26 -5.04 105.19 101.37 2z54 n GLY 68 Ca 0.07 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 2z54 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2z54 s HIS 69 N -2.00 2.73 0.29 1.61 4.02 -0.63 -5.11 115.29 116.20 2z54 s HIS 69 Ca 0.00 -1.29 -0.28 0.00 1.02 0.00 0.00 55.06 54.51 2z54 s HIS 69 Cb 0.00 -1.86 -0.09 0.00 -1.02 0.00 0.00 32.58 29.61 2z54 s HIS 69 CO 0.00 -0.60 1.00 0.15 1.02 0.00 0.00 174.74 176.31 2z54 s LYS 70 N 0.91 4.65 -0.01 1.40 1.02 -1.26 -1.15 119.74 125.29 2z54 s LYS 70 Ca -0.04 1.55 -0.03 0.00 0.02 0.00 0.00 55.97 57.47 2z54 s LYS 70 Cb -0.15 -3.06 -0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2z54 s LYS 70 CO -0.03 0.29 0.07 0.00 -0.92 0.00 0.00 175.35 174.76 2z54 s ALA 71 N -1.33 -0.15 -0.11 5.17 0.00 -0.40 -4.76 121.76 120.18 2z54 s ALA 71 Ca 0.46 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.34 2z54 s ALA 71 Cb -0.26 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2z54 s ALA 71 CO 0.32 -0.12 -0.23 0.42 0.00 0.00 0.00 175.76 176.15 2z54 s ILE 72 N -0.81 2.08 0.00 0.00 1.01 -1.26 -1.06 121.20 121.15 2z54 s ILE 72 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.56 2z54 s ILE 72 Cb -0.05 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2z54 s ILE 72 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2z54 n GLY 73 N 3.70 0.88 3.72 6.18 0.00 -0.60 -4.84 105.19 114.23 2z54 n GLY 73 Ca -0.19 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2z54 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2z54 s THR 74 N -2.22 3.64 -0.08 2.61 2.01 -1.26 0.25 115.64 120.60 2z54 s THR 74 Ca 0.00 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.25 2z54 s THR 74 Cb 0.00 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.74 2z54 s THR 74 CO 0.00 0.12 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.21 2z54 s VAL 75 N 0.81 1.40 -0.02 3.82 1.01 -0.21 -4.49 120.40 122.72 2z54 s VAL 75 Ca 0.59 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 2z54 s VAL 75 Cb -0.33 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2z54 s VAL 75 CO 0.32 0.41 0.36 -0.76 0.00 0.00 0.00 175.10 175.43 2z54 s LEU 76 N 0.65 4.46 -0.10 3.92 1.43 0.11 -1.47 118.68 127.68 2z54 s LEU 76 Ca -0.14 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 2z54 s LEU 76 Cb -0.16 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.58 2z54 s LEU 76 CO 0.04 0.34 -0.13 -0.69 0.23 0.00 0.00 176.35 176.14 2z54 s VAL 77 N -1.08 1.30 0.00 -1.59 1.01 0.02 -0.47 120.40 119.59 2z54 s VAL 77 Ca 0.22 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2z54 s VAL 77 Cb -0.16 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2z54 s VAL 77 CO 0.12 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2z54 n GLY 78 N 4.29 0.65 2.40 4.51 0.00 -0.59 -0.94 105.19 115.52 2z54 n GLY 78 Ca -0.19 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 2z54 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2z54 n PRO 79 N 0.00 4.06 -2.68 1.61 -0.04 -1.26 -3.00 135.00 133.69 2z54 n PRO 79 Ca 0.00 -2.86 -0.40 0.00 -0.04 0.00 0.00 63.50 60.19 2z54 n PRO 79 Cb 0.00 -2.63 -0.05 0.00 -0.04 0.00 0.00 33.50 30.78 2z54 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2z54 s THR 80 N -0.00 4.11 0.50 0.52 -1.32 -1.26 -4.99 115.64 113.20 2z54 s THR 80 Ca 0.60 1.95 0.41 0.00 -1.21 0.00 0.00 61.69 63.45 2z54 s THR 80 Cb 0.20 -4.25 0.43 0.00 -1.51 0.00 0.00 72.50 67.37 2z54 s THR 80 CO -0.09 0.40 2.26 1.55 -2.21 0.00 0.00 174.62 176.53 2z54 h PRO 81 N 4.69 0.00 -3.05 7.08 0.13 -1.99 -3.43 132.00 135.43 2z54 h PRO 81 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 2z54 h PRO 81 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 2z54 h PRO 81 CO 0.70 0.00 -0.34 0.54 -0.23 0.00 0.00 178.00 178.67 2z54 s VAL 82 N -4.03 0.03 0.10 1.56 0.11 -1.26 -5.09 120.40 111.82 2z54 s VAL 82 Ca -0.03 -0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 58.47 2z54 s VAL 82 Cb 0.12 -0.50 -0.07 0.00 -1.53 0.00 0.00 36.38 34.40 2z54 s VAL 82 CO 0.46 -0.13 1.34 0.20 -3.33 0.00 0.00 175.10 173.64 2z54 s ASN 83 N -0.52 6.89 -0.16 3.54 0.01 -1.26 -4.70 114.94 118.73 2z54 s ASN 83 Ca -0.06 2.25 0.01 0.00 -0.71 0.00 0.00 52.86 54.35 2z54 s ASN 83 Cb -0.04 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2z54 s ASN 83 CO 0.02 -0.61 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.20 2z54 s ILE 84 N 1.06 1.84 -0.36 0.60 1.01 0.18 -0.04 121.20 125.49 2z54 s ILE 84 Ca 0.63 -0.80 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 2z54 s ILE 84 Cb -0.35 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.43 2z54 s ILE 84 CO 0.30 0.50 0.53 -0.63 0.00 0.00 0.00 174.94 175.64 2z54 s ILE 85 N 1.36 4.99 0.66 2.92 -1.09 0.31 -1.07 121.20 129.28 2z54 s ILE 85 Ca 0.05 0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 2z54 s ILE 85 Cb -0.13 -4.00 0.12 0.00 -1.58 0.00 0.00 42.46 36.87 2z54 s ILE 85 CO -0.12 -0.27 0.90 0.61 -1.23 0.00 0.00 174.94 174.83 2z54 n GLY 86 N 4.83 1.23 0.24 6.18 0.00 -1.16 -1.68 105.19 114.82 2z54 n GLY 86 Ca -0.04 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 43.96 2z54 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2z54 h ARG 87 N 0.00 0.00 -0.62 1.61 3.08 -0.54 -1.86 114.38 116.05 2z54 h ARG 87 Ca -0.30 0.00 0.18 0.00 0.07 0.00 0.00 59.98 59.93 2z54 h ARG 87 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 2z54 h ARG 87 CO 0.37 0.20 0.48 -2.95 -1.07 0.00 0.00 179.97 176.99 2z54 h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.77 -2.34 115.58 117.44 2z54 h ASN 88 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.11 2z54 h ASN 88 Cb 0.51 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.71 2z54 h ASN 88 CO 0.03 0.00 -1.96 0.18 0.07 0.00 0.00 177.43 175.74 2z54 n LEU 89 N -4.19 0.24 -0.05 6.14 4.77 -0.76 -4.46 117.00 118.69 2z54 n LEU 89 Ca 0.12 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 2z54 n LEU 89 Cb 0.73 0.27 0.34 0.00 -2.33 0.00 0.00 43.42 42.42 2z54 n LEU 89 CO 0.35 0.38 1.11 -0.07 -1.33 0.00 0.00 177.39 177.84 2z54 h LEU 90 N 0.00 0.58 -1.33 2.23 3.38 -1.25 -0.97 115.31 117.95 2z54 h LEU 90 Ca -0.38 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2z54 h LEU 90 Cb 1.84 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2z54 h LEU 90 CO 0.01 0.48 -0.13 0.71 0.09 0.00 0.00 178.44 179.61 2z54 h THR 91 N 0.66 1.19 0.00 0.22 1.35 -1.65 -1.32 112.91 113.36 2z54 h THR 91 Ca 0.17 -0.84 -0.09 0.00 -0.55 0.00 0.00 66.41 65.10 2z54 h THR 91 Cb 0.04 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 2z54 h THR 91 CO -0.03 0.27 -0.43 1.56 -0.25 0.00 0.00 175.52 176.65 2z54 h GLN 92 N 0.28 0.00 -0.38 4.72 4.20 -1.40 -2.73 115.11 119.80 2z54 h GLN 92 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2z54 h GLN 92 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2z54 h GLN 92 CO 0.02 0.43 0.00 0.44 -0.67 0.00 0.00 178.83 179.05 2z54 n ILE 93 N -3.35 0.49 -1.60 2.54 -5.35 -1.13 -4.92 119.36 106.04 2z54 n ILE 93 Ca 0.01 -0.65 -0.01 0.00 -0.27 0.00 0.00 62.75 61.82 2z54 n ILE 93 Cb 0.62 0.69 -0.00 0.00 -1.74 0.00 0.00 39.64 39.21 2z54 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2z54 n GLY 94 N 1.40 0.39 3.70 3.28 0.00 -1.03 -5.00 105.19 107.92 2z54 n GLY 94 Ca 0.19 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2z54 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2z54 s THR 96 N 1.35 1.98 0.08 0.00 -4.23 -1.26 -4.70 115.64 108.85 2z54 s THR 96 Ca 0.55 -2.11 -0.05 0.00 -1.18 0.00 0.00 61.69 58.90 2z54 s THR 96 Cb -0.24 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 2z54 s THR 96 CO 0.26 -0.39 0.31 -0.76 -0.54 0.00 0.00 174.62 173.50 2z54 s LEU 97 N -3.02 4.33 -0.12 4.79 1.43 -1.26 -5.08 118.68 119.75 2z54 s LEU 97 Ca 0.21 0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 53.79 2z54 s LEU 97 Cb -0.04 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.23 2z54 s LEU 97 CO 0.09 0.15 0.26 0.20 0.23 0.00 0.00 176.35 177.28 2z54 s ASN 98 N -2.14 -0.05 0.00 2.29 -0.87 -1.26 -5.28 114.94 107.64 2z54 s ASN 98 Ca 0.35 0.56 0.00 0.00 -1.57 0.00 0.00 52.86 52.20 2z54 s ASN 98 Cb -0.13 0.52 0.00 0.00 -0.02 0.00 0.00 41.25 41.63 2z54 s ASN 98 CO 0.22 -0.19 0.00 2.22 -2.57 0.00 0.00 177.10 176.77