#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 4.08 -0.20 0.54 0.74 -1.26 -5.07 119.66 118.49 2z54 s GLN 2 Ca 0.00 0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.72 2z54 s GLN 2 Cb 0.00 -3.33 0.04 0.00 1.10 0.00 0.00 33.01 30.82 2z54 s GLN 2 CO 0.00 0.44 -0.12 0.42 -0.55 0.00 0.00 175.29 175.49 2z54 s ILE 3 N -0.24 1.75 0.76 -2.34 1.01 -1.26 -5.12 121.20 115.76 2z54 s ILE 3 Ca 0.22 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 2z54 s ILE 3 Cb -0.15 -1.79 0.05 0.00 0.01 0.00 0.00 42.46 40.58 2z54 s ILE 3 CO 0.09 0.20 1.12 0.42 0.00 0.00 0.00 174.94 176.78 2z54 s THR 4 N 1.35 2.93 -0.19 2.92 -4.23 -1.26 -5.02 115.64 112.15 2z54 s THR 4 Ca -0.01 0.30 0.15 0.00 -1.18 0.00 0.00 61.69 60.95 2z54 s THR 4 Cb -0.16 -3.24 0.40 0.00 1.34 0.00 0.00 72.50 70.83 2z54 s THR 4 CO -0.08 -0.40 1.25 0.18 -0.54 0.00 0.00 174.62 175.03 2z54 n LEU 5 N -3.20 2.93 0.19 4.79 4.77 -1.26 -4.52 117.00 120.69 2z54 n LEU 5 Ca 0.07 -3.45 0.05 0.00 -0.03 0.00 0.00 56.01 52.65 2z54 n LEU 5 Cb 0.58 -0.51 0.37 0.00 -2.33 0.00 0.00 43.42 41.53 2z54 n LEU 5 CO 0.57 1.01 0.70 -0.50 -1.33 0.00 0.00 177.39 177.85 2z54 h TRP 6 N 0.70 0.00 -1.73 -1.77 4.06 -2.06 -3.43 115.95 111.71 2z54 h TRP 6 Ca 0.03 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.38 2z54 h TRP 6 Cb 1.16 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.20 2z54 h TRP 6 CO 0.46 0.37 -0.58 -0.65 -3.56 0.00 0.00 178.44 174.48 2z54 s GLN 7 N -3.80 2.04 0.13 0.49 -0.21 -1.26 -5.10 119.66 111.94 2z54 s GLN 7 Ca -0.01 -1.94 -0.34 0.00 0.02 0.00 0.00 55.36 53.09 2z54 s GLN 7 Cb 0.12 -1.80 -0.14 0.00 1.00 0.00 0.00 33.01 32.19 2z54 s GLN 7 CO 0.69 -0.01 1.59 0.54 -2.12 0.00 0.00 175.29 175.98 2z54 n ARG 8 N -1.02 2.07 -2.11 2.91 1.74 -1.26 -4.88 116.66 114.11 2z54 n ARG 8 Ca -0.04 0.75 -0.38 0.00 -0.77 0.00 0.00 57.85 57.41 2z54 n ARG 8 Cb 0.65 -2.51 -0.03 0.00 -1.02 0.00 0.00 32.46 29.55 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 3.65 2.45 -3.40 5.56 -0.04 -1.26 -4.94 135.00 137.02 2z54 n PRO 9 Ca 0.18 -2.75 -0.38 0.00 -0.04 0.00 0.00 63.50 60.51 2z54 n PRO 9 Cb 0.28 -3.46 -0.07 0.00 -0.04 0.00 0.00 33.50 30.21 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 5.56 4.23 0.29 1.53 1.43 -1.26 -0.83 118.68 129.63 2z54 s LEU 10 Ca 0.58 0.64 0.10 0.00 -1.03 0.00 0.00 54.13 54.41 2z54 s LEU 10 Cb 0.06 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 2z54 s LEU 10 CO 0.08 0.00 -0.15 0.68 0.23 0.00 0.00 176.35 177.19 2z54 s VAL 11 N 0.80 2.24 -0.07 -1.59 -7.23 0.40 -4.92 120.40 110.04 2z54 s VAL 11 Ca 0.21 -2.29 -0.22 0.00 -1.81 0.00 0.00 61.98 57.87 2z54 s VAL 11 Cb -0.14 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2z54 s VAL 11 CO 0.08 -0.34 0.65 -0.89 -0.31 0.00 0.00 175.10 174.28 2z54 s THR 12 N -2.64 5.06 0.15 5.32 2.01 -1.26 -1.24 115.64 123.04 2z54 s THR 12 Ca 0.30 1.34 0.11 0.00 0.31 0.00 0.00 61.69 63.74 2z54 s THR 12 Cb -0.01 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2z54 s THR 12 CO 0.14 0.28 -0.24 0.27 -0.69 0.00 0.00 174.62 174.38 2z54 s ILE 13 N 0.68 2.42 -0.19 1.82 -4.36 0.19 -1.47 121.20 120.29 2z54 s ILE 13 Ca 0.35 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 2z54 s ILE 13 Cb -0.17 -2.11 0.02 0.00 1.25 0.00 0.00 42.46 41.45 2z54 s ILE 13 CO 0.17 0.03 -0.17 -0.75 0.24 0.00 0.00 174.94 174.46 2z54 s LYS 14 N -2.25 3.05 -0.04 0.37 2.20 0.03 -1.24 119.74 121.86 2z54 s LYS 14 Ca 0.17 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.96 2z54 s LYS 14 Cb -0.10 -2.67 0.03 0.00 -1.51 0.00 0.00 37.83 33.59 2z54 s LYS 14 CO 0.08 -0.22 0.09 -1.50 -0.36 0.00 0.00 175.35 173.44 2z54 s ILE 15 N 1.32 -0.07 -1.43 5.43 2.07 -0.15 -1.15 121.20 127.23 2z54 s ILE 15 Ca 0.05 0.23 -0.10 0.00 -1.41 0.00 0.00 60.65 59.41 2z54 s ILE 15 Cb -0.13 -0.16 0.05 0.00 0.13 0.00 0.00 42.46 42.34 2z54 s ILE 15 CO -0.11 0.09 1.04 0.61 -1.91 0.00 0.00 174.94 174.66 2z54 n GLY 16 N 4.34 -0.49 3.51 1.50 0.00 -1.26 -1.38 105.19 111.41 2z54 n GLY 16 Ca -0.24 0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.77 1.22 3.79 -0.02 0.00 -1.26 -5.01 105.19 102.14 2z54 n GLY 17 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.20 2.90 -0.18 1.61 -0.21 -0.48 -5.12 119.66 117.98 2z54 s GLN 18 Ca 0.00 -0.77 -0.09 0.00 0.02 0.00 0.00 55.36 54.52 2z54 s GLN 18 Cb 0.00 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 2z54 s GLN 18 CO 0.00 0.53 0.11 -0.51 -2.12 0.00 0.00 175.29 173.29 2z54 s LEU 19 N -2.74 4.08 0.19 2.90 1.43 -1.26 -0.97 118.68 122.30 2z54 s LEU 19 Ca 0.30 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2z54 s LEU 19 Cb -0.11 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2z54 s LEU 19 CO 0.23 0.21 0.14 -0.54 0.23 0.00 0.00 176.35 176.62 2z54 s LYS 20 N 0.20 1.18 -0.09 1.70 1.02 -0.37 -4.99 119.74 118.38 2z54 s LYS 20 Ca 0.07 -1.56 0.01 0.00 0.02 0.00 0.00 55.97 54.51 2z54 s LYS 20 Cb -0.12 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.45 2z54 s LYS 20 CO -0.01 -0.39 -0.10 -2.00 -0.92 0.00 0.00 175.35 171.94 2z54 s GLU 21 N -4.13 2.96 0.04 1.68 2.12 -1.26 -0.64 118.70 119.47 2z54 s GLU 21 Ca 0.35 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 55.05 2z54 s GLU 21 Cb 0.06 -2.58 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 2z54 s GLU 21 CO 0.10 0.48 -0.03 0.00 -0.54 0.00 0.00 175.26 175.27 2z54 s ALA 22 N -0.33 0.35 -0.17 6.30 0.00 -0.37 -4.49 121.76 123.05 2z54 s ALA 22 Ca 0.04 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 2z54 s ALA 22 Cb -0.13 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 2z54 s ALA 22 CO 0.02 -0.29 0.53 -1.17 0.00 0.00 0.00 175.76 174.85 2z54 s LEU 23 N -2.35 4.20 -0.30 0.00 2.96 0.68 -0.45 118.68 123.42 2z54 s LEU 23 Ca -0.02 0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 54.36 2z54 s LEU 23 Cb 0.01 -2.74 0.00 0.00 0.50 0.00 0.00 46.19 43.96 2z54 s LEU 23 CO -0.06 -0.13 1.26 -0.76 -1.32 0.00 0.00 176.35 175.33 2z54 s LEU 24 N 1.29 3.91 -0.34 -0.68 1.43 -0.01 -0.02 118.68 124.24 2z54 s LEU 24 Ca 0.26 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 2z54 s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 2z54 s LEU 24 CO 0.10 -1.03 0.13 -0.62 0.23 0.00 0.00 176.35 175.16 2z54 s ASP 25 N 2.53 4.02 0.55 2.29 3.68 -0.40 -4.79 116.67 124.55 2z54 s ASP 25 Ca 0.54 -1.94 0.33 0.00 2.13 0.00 0.00 52.55 53.61 2z54 s ASP 25 Cb -0.16 -0.99 1.55 0.00 -1.45 0.00 0.00 42.92 41.87 2z54 s ASP 25 CO 0.21 -0.37 2.07 0.71 0.13 0.00 0.00 175.17 177.92 2z54 h THR 26 N 6.19 0.23 -0.38 1.71 1.35 -1.94 -2.69 112.91 117.38 2z54 h THR 26 Ca -0.09 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2z54 h THR 26 Cb 0.99 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2z54 h THR 26 CO 0.48 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 2z54 n GLY 27 N -0.37 1.71 3.18 5.82 0.00 -1.26 -4.80 105.19 109.47 2z54 n GLY 27 Ca -0.01 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.74 2.36 0.12 4.61 0.00 -1.01 -5.01 121.76 121.09 2z54 s ALA 28 Ca 0.30 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 2z54 s ALA 28 Cb 0.20 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2z54 s ALA 28 CO 0.14 -0.17 1.54 -0.44 0.00 0.00 0.00 175.76 176.83 2z54 h ASP 29 N 7.59 0.75 -1.62 0.00 3.45 -1.87 0.22 116.42 124.95 2z54 h ASP 29 Ca -0.38 -0.35 -0.58 0.00 0.43 0.00 0.00 57.03 56.15 2z54 h ASP 29 Cb 1.17 -0.20 -0.09 0.00 -0.56 0.00 0.00 39.33 39.64 2z54 h ASP 29 CO 0.59 0.93 -0.52 -1.81 -1.57 0.00 0.00 179.24 176.86 2z54 s ASP 30 N -6.34 4.32 -0.22 6.45 1.01 -1.26 -2.61 116.67 118.02 2z54 s ASP 30 Ca -0.13 -1.12 -0.08 0.00 0.71 0.00 0.00 52.55 51.93 2z54 s ASP 30 Cb 0.10 -0.47 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 2z54 s ASP 30 CO 0.81 -0.51 0.07 -0.89 0.21 0.00 0.00 175.17 174.86 2z54 s THR 31 N -2.61 4.62 -0.14 -1.27 2.01 -1.26 -3.25 115.64 113.74 2z54 s THR 31 Ca 0.40 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.32 2z54 s THR 31 Cb 0.05 -3.12 0.02 0.00 0.01 0.00 0.00 72.50 69.46 2z54 s THR 31 CO 0.22 0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.71 2z54 s VAL 32 N 1.01 1.52 0.01 3.82 1.01 -0.47 -1.18 120.40 126.13 2z54 s VAL 32 Ca 0.04 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2z54 s VAL 32 Cb -0.14 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2z54 s VAL 32 CO 0.03 0.45 -0.09 -0.76 0.00 0.00 0.00 175.10 174.73 2z54 s LEU 33 N 1.37 3.03 1.10 3.92 1.43 0.28 -0.78 118.68 129.04 2z54 s LEU 33 Ca 0.02 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 2z54 s LEU 33 Cb -0.13 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.43 2z54 s LEU 33 CO -0.08 0.28 -0.04 -0.62 0.23 0.00 0.00 176.35 176.11 2z54 n GLU 34 N 1.57 -1.40 -1.68 1.70 1.02 -1.26 -1.21 120.64 119.38 2z54 n GLU 34 Ca -0.16 -0.39 -0.49 0.00 -0.02 0.00 0.00 57.16 56.11 2z54 n GLU 34 Cb 0.52 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.78 2.08 -3.75 3.49 4.07 -1.20 -4.34 120.64 119.22 2z54 n GLU 35 Ca 0.01 0.76 -0.10 0.00 -0.06 0.00 0.00 57.16 57.77 2z54 n GLU 35 Cb 0.62 -2.59 -0.06 0.00 -0.06 0.00 0.00 31.44 29.35 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 3.70 0.92 -0.66 5.31 0.23 -1.26 -5.04 119.30 122.50 2z54 s MET 36 Ca 0.92 -0.77 -0.27 0.00 -1.03 0.00 0.00 55.69 54.54 2z54 s MET 36 Cb -0.72 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 32.98 2z54 s MET 36 CO 0.51 -0.32 1.45 0.45 -2.03 0.00 0.00 175.02 175.08 2z54 s SER 37 N -2.67 5.96 -0.04 -1.18 0.15 -1.26 -5.01 113.70 109.65 2z54 s SER 37 Ca 0.02 -0.05 0.07 0.00 0.70 0.00 0.00 55.95 56.68 2z54 s SER 37 Cb 0.03 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2z54 s SER 37 CO -0.10 -1.92 -0.24 -0.76 1.20 0.00 0.00 173.24 171.43 2z54 s LEU 38 N 6.56 2.15 0.37 3.45 1.43 -1.26 -4.90 118.68 126.48 2z54 s LEU 38 Ca 0.47 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 2z54 s LEU 38 Cb -0.10 -1.38 -0.10 0.00 0.03 0.00 0.00 46.19 44.64 2z54 s LEU 38 CO 0.19 0.29 0.88 -2.16 0.23 0.00 0.00 176.35 175.78 2z54 s PRO 39 N -0.43 4.22 0.00 1.29 0.05 -1.26 -5.01 135.00 133.86 2z54 s PRO 39 Ca 0.05 1.02 0.00 0.00 0.05 0.00 0.00 61.00 62.11 2z54 s PRO 39 Cb -0.12 -2.38 0.00 0.00 0.05 0.00 0.00 34.50 32.05 2z54 s PRO 39 CO 0.01 0.09 0.00 0.41 0.05 0.00 0.00 177.00 177.56 2z54 n GLY 40 N -0.30 0.07 3.92 0.56 0.00 -1.26 -5.07 105.19 103.12 2z54 n GLY 40 Ca 0.05 -2.29 -0.26 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 -0.16 3.55 0.27 1.61 3.00 -1.26 -5.13 118.95 120.84 2z54 s ARG 41 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 55.73 55.57 2z54 s ARG 41 Cb 0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 34.95 32.27 2z54 s ARG 41 CO 0.00 0.17 0.29 1.67 0.00 0.00 0.00 175.30 177.44 2z54 s TRP 42 N -2.21 1.20 -0.05 -0.53 1.48 -1.26 -4.64 118.94 112.93 2z54 s TRP 42 Ca 0.42 -1.35 -0.00 0.00 -1.06 0.00 0.00 56.10 54.10 2z54 s TRP 42 Cb -0.10 -0.40 0.03 0.00 -1.16 0.00 0.00 33.47 31.83 2z54 s TRP 42 CO 0.33 -0.86 -0.01 0.15 -4.06 0.00 0.00 176.95 172.50 2z54 s LYS 43 N -3.70 0.56 0.21 3.25 1.02 -1.01 -4.95 119.74 115.12 2z54 s LYS 43 Ca 0.35 0.06 -0.31 0.00 0.02 0.00 0.00 55.97 56.09 2z54 s LYS 43 Cb 0.03 -0.80 -0.15 0.00 -0.52 0.00 0.00 37.83 36.39 2z54 s LYS 43 CO 0.18 -0.21 1.14 -0.35 -0.92 0.00 0.00 175.35 175.20 2z54 n PRO 44 N 4.63 1.29 -3.67 -1.68 -0.04 -1.26 -1.84 135.00 132.43 2z54 n PRO 44 Ca -0.16 0.46 -0.10 0.00 -0.04 0.00 0.00 63.50 63.65 2z54 n PRO 44 Cb 0.50 -1.93 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.66 1.07 -0.17 0.54 2.20 -0.79 -4.89 119.74 117.04 2z54 s LYS 45 Ca 0.69 -0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 55.54 2z54 s LYS 45 Cb -0.80 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 35.98 2z54 s LYS 45 CO 0.54 -0.42 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.33 2z54 s MET 46 N -3.82 3.21 -0.04 4.03 -1.94 -1.26 0.13 119.30 119.61 2z54 s MET 46 Ca 0.04 -0.74 -0.08 0.00 -1.71 0.00 0.00 55.69 53.20 2z54 s MET 46 Cb 0.02 -2.67 -0.05 0.00 2.01 0.00 0.00 34.83 34.14 2z54 s MET 46 CO -0.11 -0.04 0.24 0.00 -0.01 0.00 0.00 175.02 175.10 2z54 s ALA 47 N 0.97 3.84 -0.24 3.03 0.00 0.22 -4.93 121.76 124.65 2z54 s ALA 47 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2z54 s ALA 47 Cb -0.15 -2.07 0.04 0.00 0.00 0.00 0.00 23.12 20.94 2z54 s ALA 47 CO -0.02 0.62 -0.11 0.20 0.00 0.00 0.00 175.76 176.45 2z54 s GLY 48 N -1.36 1.59 0.00 0.00 0.00 -1.26 -0.81 107.32 105.47 2z54 s GLY 48 Ca 0.22 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.43 2z54 s GLY 48 CO 0.11 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.32 2z54 n GLY 49 N 4.58 4.18 0.25 0.20 0.00 -0.12 -5.00 105.19 109.27 2z54 n GLY 49 Ca -0.17 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 43.87 2z54 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2z54 h ILE 50 N 0.00 1.28 -0.41 -0.61 6.09 -2.03 -3.24 117.51 118.59 2z54 h ILE 50 Ca 0.00 -1.37 0.00 0.00 -1.37 0.00 0.00 64.86 62.12 2z54 h ILE 50 Cb 0.00 1.32 0.00 0.00 0.47 0.00 0.00 36.82 38.61 2z54 h ILE 50 CO 0.00 0.44 0.00 0.61 -3.07 0.00 0.00 178.15 176.13 2z54 n GLY 51 N -0.23 1.22 0.00 8.18 0.00 -1.26 -5.06 105.19 108.04 2z54 n GLY 51 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.32 0.20 3.21 -0.02 0.00 -1.23 -5.09 105.19 103.58 2z54 n GLY 52 Ca 0.17 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 2.13 -0.10 1.61 -0.71 -1.26 -0.95 117.98 118.70 2z54 s PHE 53 Ca 0.00 -0.64 -0.01 0.00 -1.04 0.00 0.00 56.93 55.24 2z54 s PHE 53 Cb 0.00 -1.41 -0.03 0.00 -1.21 0.00 0.00 43.02 40.37 2z54 s PHE 53 CO 0.00 -0.20 -0.05 0.14 -1.34 0.00 0.00 175.22 173.76 2z54 s VAL 54 N -0.06 3.81 0.01 -2.49 -7.23 0.01 -4.96 120.40 109.49 2z54 s VAL 54 Ca -0.04 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 59.41 2z54 s VAL 54 Cb -0.13 -2.60 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 2z54 s VAL 54 CO 0.03 0.56 1.39 -1.59 -0.31 0.00 0.00 175.10 175.18 2z54 s LYS 55 N -0.35 4.29 0.39 4.82 0.00 -1.26 -0.61 119.74 127.02 2z54 s LYS 55 Ca 0.05 1.96 0.06 0.00 0.00 0.00 0.00 55.97 58.05 2z54 s LYS 55 Cb -0.12 -3.54 -0.07 0.00 0.00 0.00 0.00 37.83 34.09 2z54 s LYS 55 CO 0.02 -0.56 0.02 0.14 0.00 0.00 0.00 175.35 174.98 2z54 s VAL 56 N 2.27 1.76 -0.17 1.79 -7.23 0.12 -4.43 120.40 114.50 2z54 s VAL 56 Ca 0.64 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.77 2z54 s VAL 56 Cb -0.32 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 2z54 s VAL 56 CO 0.27 0.00 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.90 2z54 s ARG 57 N -3.76 3.66 -0.25 4.82 0.52 -0.14 -1.89 118.95 121.90 2z54 s ARG 57 Ca 0.35 -0.52 -0.13 0.00 -0.52 0.00 0.00 55.73 54.90 2z54 s ARG 57 Cb 0.09 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 2z54 s ARG 57 CO 0.17 0.17 0.30 -1.14 0.02 0.00 0.00 175.30 174.82 2z54 s GLN 58 N 0.56 4.06 -0.13 3.54 0.74 -0.76 -0.79 119.66 126.87 2z54 s GLN 58 Ca -0.02 -0.05 -0.00 0.00 0.05 0.00 0.00 55.36 55.33 2z54 s GLN 58 Cb -0.14 -3.60 -0.02 0.00 1.10 0.00 0.00 33.01 30.35 2z54 s GLN 58 CO 0.02 -0.12 -0.12 0.71 -0.55 0.00 0.00 175.29 175.23 2z54 s TYR 59 N 1.60 2.84 0.28 1.67 2.02 -0.07 -2.39 117.35 123.29 2z54 s TYR 59 Ca 0.13 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 2z54 s TYR 59 Cb -0.15 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 2z54 s TYR 59 CO 0.08 -0.17 0.46 -0.51 -1.57 0.00 0.00 175.55 173.84 2z54 s ASP 60 N 0.30 6.33 -1.43 2.29 1.11 -1.26 -1.22 116.67 122.79 2z54 s ASP 60 Ca -0.09 0.36 -0.04 0.00 0.18 0.00 0.00 52.55 52.96 2z54 s ASP 60 Cb -0.15 -1.99 0.03 0.00 1.07 0.00 0.00 42.92 41.87 2z54 s ASP 60 CO 0.05 -0.16 0.58 0.00 1.18 0.00 0.00 175.17 176.82 2z54 n GLN 61 N -1.32 -3.84 -3.57 8.23 6.02 -1.15 -4.87 117.38 116.89 2z54 n GLN 61 Ca -0.06 0.46 -0.37 0.00 -0.01 0.00 0.00 57.00 57.03 2z54 n GLN 61 Cb 0.56 -4.83 -0.08 0.00 1.02 0.00 0.00 30.24 26.91 2z54 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2z54 s ILE 62 N -3.75 5.31 -0.00 5.09 -1.09 0.49 -4.71 121.20 122.54 2z54 s ILE 62 Ca 0.16 0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 58.69 2z54 s ILE 62 Cb -0.08 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 2z54 s ILE 62 CO 0.87 0.35 1.27 -0.22 -1.23 0.00 0.00 174.94 175.98 2z54 s LEU 63 N 0.86 4.32 0.01 2.97 2.96 -1.26 -1.95 118.68 126.59 2z54 s LEU 63 Ca 0.13 1.98 0.06 0.00 -0.22 0.00 0.00 54.13 56.08 2z54 s LEU 63 Cb -0.13 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 2z54 s LEU 63 CO 0.04 -0.60 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.66 2z54 s ILE 64 N 1.94 1.40 -0.27 6.68 1.09 -0.17 -4.34 121.20 127.54 2z54 s ILE 64 Ca 0.59 -0.90 -0.01 0.00 -1.10 0.00 0.00 60.65 59.23 2z54 s ILE 64 Cb -0.28 -1.19 0.04 0.00 -1.06 0.00 0.00 42.46 39.96 2z54 s ILE 64 CO 0.25 0.28 -0.04 -0.70 -0.10 0.00 0.00 174.94 174.63 2z54 s GLU 65 N -0.71 2.66 -0.29 2.79 2.12 -0.30 -0.88 118.70 124.10 2z54 s GLU 65 Ca 0.06 -1.10 -0.05 0.00 0.36 0.00 0.00 54.97 54.25 2z54 s GLU 65 Cb -0.07 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.28 2z54 s GLU 65 CO 0.00 -0.49 0.03 0.42 -0.54 0.00 0.00 175.26 174.69 2z54 s ILE 66 N 1.29 3.53 -1.18 -3.70 1.01 -0.47 -0.79 121.20 120.89 2z54 s ILE 66 Ca -0.02 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 2z54 s ILE 66 Cb -0.18 -2.85 0.07 0.00 0.01 0.00 0.00 42.46 39.52 2z54 s ILE 66 CO -0.03 0.07 0.40 0.00 0.00 0.00 0.00 174.94 175.39 2z54 n GLY 68 N -1.06 0.57 3.13 0.00 0.00 -1.26 -5.05 105.19 101.53 2z54 n GLY 68 Ca -0.01 -0.46 -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 2.81 0.32 1.61 4.02 -0.75 -5.10 115.29 116.20 2z54 s HIS 69 Ca 0.00 -1.62 -0.28 0.00 1.02 0.00 0.00 55.06 54.19 2z54 s HIS 69 Cb 0.00 -1.94 -0.09 0.00 -1.02 0.00 0.00 32.58 29.53 2z54 s HIS 69 CO 0.00 -0.79 1.11 0.15 1.02 0.00 0.00 174.74 176.23 2z54 s LYS 70 N 1.30 4.45 0.01 1.40 1.02 -1.26 -1.36 119.74 125.29 2z54 s LYS 70 Ca 0.05 1.78 -0.04 0.00 0.02 0.00 0.00 55.97 57.78 2z54 s LYS 70 Cb -0.13 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2z54 s LYS 70 CO -0.12 0.04 0.07 0.00 -0.92 0.00 0.00 175.35 174.42 2z54 s ALA 71 N -1.29 -0.15 -0.06 5.17 0.00 -0.06 -4.75 121.76 120.63 2z54 s ALA 71 Ca 0.49 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.21 2z54 s ALA 71 Cb -0.30 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 2z54 s ALA 71 CO 0.39 -0.18 -0.20 0.42 0.00 0.00 0.00 175.76 176.19 2z54 s ILE 72 N -1.32 1.67 -0.80 0.00 1.01 -1.26 -0.99 121.20 119.51 2z54 s ILE 72 Ca -0.14 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.67 2z54 s ILE 72 Cb -0.08 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.96 2z54 s ILE 72 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2z54 n GLY 73 N 3.21 -1.06 3.68 6.18 0.00 -0.82 -4.86 105.19 111.53 2z54 n GLY 73 Ca -0.19 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.00 4.08 -0.08 2.61 2.01 -1.26 -0.38 115.64 119.62 2z54 s THR 74 Ca 0.00 1.41 0.03 0.00 0.31 0.00 0.00 61.69 63.43 2z54 s THR 74 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2z54 s THR 74 CO 0.00 -0.02 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.07 2z54 s VAL 75 N 2.49 2.93 -0.09 3.82 1.01 -0.36 -4.41 120.40 125.79 2z54 s VAL 75 Ca 0.58 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2z54 s VAL 75 Cb -0.26 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2z54 s VAL 75 CO 0.22 0.57 0.09 -0.76 0.00 0.00 0.00 175.10 175.22 2z54 s LEU 76 N -0.28 4.05 -0.09 3.92 1.43 -0.32 -0.89 118.68 126.50 2z54 s LEU 76 Ca 0.02 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 2z54 s LEU 76 Cb -0.13 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2z54 s LEU 76 CO 0.03 0.37 -0.13 -0.69 0.23 0.00 0.00 176.35 176.16 2z54 s VAL 77 N -1.02 1.31 -0.91 -1.59 1.01 0.03 -0.55 120.40 118.67 2z54 s VAL 77 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2z54 s VAL 77 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.06 2z54 s VAL 77 CO 0.05 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2z54 n GLY 78 N 4.11 -0.89 1.80 4.51 0.00 -0.35 -0.97 105.19 113.39 2z54 n GLY 78 Ca -0.20 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.99 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 1.39 -2.49 1.61 -0.05 -1.26 -3.24 135.00 130.96 2z54 n PRO 79 Ca 0.00 -0.47 -0.38 0.00 -0.05 0.00 0.00 63.50 62.60 2z54 n PRO 79 Cb 0.00 -1.51 -0.04 0.00 -0.05 0.00 0.00 33.50 31.90 2z54 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 175.50 175.37 2z54 s THR 80 N 0.68 3.57 -0.15 0.52 -1.32 -1.26 -4.98 115.64 112.70 2z54 s THR 80 Ca 0.32 1.35 0.29 0.00 -1.21 0.00 0.00 61.69 62.44 2z54 s THR 80 Cb 0.15 -3.77 0.36 0.00 -1.51 0.00 0.00 72.50 67.74 2z54 s THR 80 CO 0.00 0.15 1.83 1.55 -2.21 0.00 0.00 174.62 175.94 2z54 h PRO 81 N 3.00 0.00 -4.51 7.08 0.13 -1.98 -3.43 132.00 132.29 2z54 h PRO 81 Ca -0.48 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.30 2z54 h PRO 81 Cb 1.22 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.07 2z54 h PRO 81 CO 0.64 0.00 -0.76 0.08 -0.23 0.00 0.00 178.00 177.73 2z54 s VAL 82 N -3.47 0.55 0.05 1.56 1.01 -1.26 -5.07 120.40 113.77 2z54 s VAL 82 Ca 0.04 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 2z54 s VAL 82 Cb 0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 2z54 s VAL 82 CO 0.59 0.12 1.40 0.20 0.00 0.00 0.00 175.10 177.41 2z54 s ASN 83 N -0.26 6.84 -0.15 3.32 0.01 -1.26 -4.68 114.94 118.77 2z54 s ASN 83 Ca 0.02 2.20 0.02 0.00 -0.71 0.00 0.00 52.86 54.39 2z54 s ASN 83 Cb -0.03 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2z54 s ASN 83 CO -0.00 -0.69 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.06 2z54 s ILE 84 N 1.90 2.18 -0.33 0.60 -1.09 0.04 -0.23 121.20 124.27 2z54 s ILE 84 Ca 0.64 -0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 58.00 2z54 s ILE 84 Cb -0.34 -1.88 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 2z54 s ILE 84 CO 0.28 0.54 0.23 -0.63 -1.23 0.00 0.00 174.94 174.13 2z54 s ILE 85 N 0.87 5.29 0.59 2.92 -1.09 0.96 -1.36 121.20 129.39 2z54 s ILE 85 Ca -0.05 -0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 2z54 s ILE 85 Cb -0.15 -3.67 0.09 0.00 -1.58 0.00 0.00 42.46 37.14 2z54 s ILE 85 CO -0.03 0.05 0.82 -0.83 -1.23 0.00 0.00 174.94 173.72 2z54 s GLY 86 N 1.73 1.77 0.49 6.18 0.00 -1.20 -1.28 107.32 115.02 2z54 s GLY 86 Ca 0.06 -1.95 0.24 0.00 0.00 0.00 0.00 44.72 43.08 2z54 s GLY 86 CO 0.11 -1.50 2.03 3.21 0.00 0.00 0.00 173.10 176.95 2z54 h ARG 87 N 0.04 0.00 -0.78 2.90 3.08 -0.90 -1.24 114.38 117.47 2z54 h ARG 87 Ca -0.33 0.00 0.17 0.00 0.07 0.00 0.00 59.98 59.89 2z54 h ARG 87 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.28 2z54 h ARG 87 CO 0.42 0.15 0.53 -2.95 -1.07 0.00 0.00 179.97 177.05 2z54 h ASN 88 N 0.00 0.33 0.04 7.04 -1.07 -1.77 -1.71 115.58 118.44 2z54 h ASN 88 Ca -0.00 0.02 -0.38 0.00 0.07 0.00 0.00 56.30 56.02 2z54 h ASN 88 Cb 0.37 -0.04 -0.06 0.00 -2.07 0.00 0.00 38.32 36.52 2z54 h ASN 88 CO 0.02 0.16 -2.37 0.18 0.07 0.00 0.00 177.43 175.49 2z54 n LEU 89 N -4.46 1.71 -0.12 6.14 4.77 -0.65 -4.40 117.00 119.98 2z54 n LEU 89 Ca 0.16 -0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.19 2z54 n LEU 89 Cb 0.61 -0.33 0.42 0.00 -2.33 0.00 0.00 43.42 41.79 2z54 n LEU 89 CO 0.33 0.74 1.20 -0.07 -1.33 0.00 0.00 177.39 178.25 2z54 h LEU 90 N 0.01 0.53 -1.21 2.23 3.38 -1.00 0.19 115.31 119.44 2z54 h LEU 90 Ca -0.54 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 2z54 h LEU 90 Cb 2.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 2z54 h LEU 90 CO -0.02 0.34 -0.24 0.71 0.09 0.00 0.00 178.44 179.31 2z54 h THR 91 N 0.60 1.23 0.00 0.22 1.35 -1.54 -1.00 112.91 113.78 2z54 h THR 91 Ca 0.28 -1.09 -0.11 0.00 -0.55 0.00 0.00 66.41 64.94 2z54 h THR 91 Cb 0.32 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 2z54 h THR 91 CO -0.09 0.33 -0.53 1.56 -0.25 0.00 0.00 175.52 176.55 2z54 h GLN 92 N 0.22 0.00 -0.59 4.72 4.20 -1.16 -2.81 115.11 119.69 2z54 h GLN 92 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2z54 h GLN 92 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2z54 h GLN 92 CO 0.04 0.53 0.00 0.44 -0.67 0.00 0.00 178.83 179.17 2z54 n ILE 93 N -3.78 0.86 -2.57 2.54 -5.35 -1.15 -4.94 119.36 104.97 2z54 n ILE 93 Ca -0.01 -0.79 -0.13 0.00 -0.27 0.00 0.00 62.75 61.55 2z54 n ILE 93 Cb 0.56 0.34 0.01 0.00 -1.74 0.00 0.00 39.64 38.82 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 1.36 -0.05 3.72 3.28 0.00 -1.06 -4.99 105.19 107.46 2z54 n GLY 94 Ca 0.19 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 0.54 1.57 0.07 0.00 -4.23 -1.26 -4.71 115.64 107.63 2z54 s THR 96 Ca 0.52 -1.82 -0.13 0.00 -1.18 0.00 0.00 61.69 59.08 2z54 s THR 96 Cb -0.26 -1.70 -0.06 0.00 1.34 0.00 0.00 72.50 71.82 2z54 s THR 96 CO 0.30 -0.37 0.45 -0.76 -0.54 0.00 0.00 174.62 173.71 2z54 s LEU 97 N -2.57 4.40 -0.06 4.79 1.43 -1.26 -5.08 118.68 120.34 2z54 s LEU 97 Ca 0.12 0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 2z54 s LEU 97 Cb -0.05 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.30 2z54 s LEU 97 CO 0.05 0.22 0.12 0.20 0.23 0.00 0.00 176.35 177.17 2z54 s ASN 98 N -1.46 0.04 0.00 2.29 0.01 -1.26 -5.28 114.94 109.27 2z54 s ASN 98 Ca 0.31 0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.71 2z54 s ASN 98 Cb -0.16 0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.64 2z54 s ASN 98 CO 0.17 -0.16 0.00 2.22 -1.51 0.00 0.00 177.10 177.82