#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ztz s GLN 2 N 0.00 2.96 -0.26 0.54 0.74 -1.26 -5.10 119.66 117.29 1ztz s GLN 2 Ca 0.00 -0.88 -0.09 0.00 0.05 0.00 0.00 55.36 54.44 1ztz s GLN 2 Cb 0.00 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.23 1ztz s GLN 2 CO 0.00 -0.30 0.13 0.42 -0.55 0.00 0.00 175.29 174.99 1ztz s ILE 3 N 1.33 4.88 0.67 -2.34 -1.09 -1.26 -5.09 121.20 118.29 1ztz s ILE 3 Ca 0.02 0.02 -0.07 0.00 -2.23 0.00 0.00 60.65 58.40 1ztz s ILE 3 Cb -0.15 -3.30 0.04 0.00 -1.58 0.00 0.00 42.46 37.47 1ztz s ILE 3 CO -0.07 0.31 0.98 0.42 -1.23 0.00 0.00 174.94 175.35 1ztz s THR 4 N 1.56 2.75 -0.18 2.92 -4.23 -1.26 -5.01 115.64 112.19 1ztz s THR 4 Ca 0.06 -0.16 0.15 0.00 -1.18 0.00 0.00 61.69 60.57 1ztz s THR 4 Cb -0.15 -3.16 0.32 0.00 1.34 0.00 0.00 72.50 70.85 1ztz s THR 4 CO 0.07 -0.17 1.21 0.18 -0.54 0.00 0.00 174.62 175.37 1ztz n LEU 5 N -2.82 2.76 -0.06 4.79 4.77 -1.26 -4.50 117.00 120.68 1ztz n LEU 5 Ca 0.07 -2.84 0.09 0.00 -0.03 0.00 0.00 56.01 53.29 1ztz n LEU 5 Cb 0.59 -0.39 0.46 0.00 -2.33 0.00 0.00 43.42 41.76 1ztz n LEU 5 CO 0.53 0.67 1.18 -0.50 -1.33 0.00 0.00 177.39 177.94 1ztz h TRP 6 N 0.63 0.49 -1.69 -1.77 4.06 -2.06 -3.42 115.95 112.19 1ztz h TRP 6 Ca 0.00 0.01 -0.59 0.00 2.06 0.00 0.00 58.89 60.38 1ztz h TRP 6 Cb 1.03 -0.16 -0.10 0.00 -1.00 0.00 0.00 29.16 28.93 1ztz h TRP 6 CO 0.15 0.26 -0.55 0.15 -3.56 0.00 0.00 178.44 174.89 1ztz s LYS 7 N -5.45 2.12 0.37 0.49 1.02 -1.26 -5.10 119.74 111.93 1ztz s LYS 7 Ca -0.08 -1.89 -0.28 0.00 0.02 0.00 0.00 55.97 53.74 1ztz s LYS 7 Cb 0.19 -1.88 -0.11 0.00 -0.52 0.00 0.00 37.83 35.50 1ztz s LYS 7 CO 0.74 -0.04 1.50 1.03 -0.92 0.00 0.00 175.35 177.67 1ztz s ARG 8 N -3.81 4.10 -1.26 1.68 0.52 -1.26 -4.86 118.95 114.06 1ztz s ARG 8 Ca 0.38 2.59 -0.16 0.00 -0.52 0.00 0.00 55.73 58.02 1ztz s ARG 8 Cb 0.04 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.53 1ztz s ARG 8 CO 0.21 -0.55 2.15 -0.35 0.02 0.00 0.00 175.30 176.77 1ztz n PRO 9 N 0.54 2.47 -3.27 3.54 -0.04 -1.26 -4.91 135.00 132.07 1ztz n PRO 9 Ca 0.01 -2.38 -0.38 0.00 -0.04 0.00 0.00 63.50 60.71 1ztz n PRO 9 Cb 0.39 -3.18 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 1ztz n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ztz s LEU 10 N 1.88 4.31 0.22 1.53 1.43 -1.26 -1.10 118.68 125.70 1ztz s LEU 10 Ca 0.50 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 1ztz s LEU 10 Cb 0.14 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 1ztz s LEU 10 CO -0.03 0.01 0.07 0.68 0.23 0.00 0.00 176.35 177.31 1ztz s VAL 11 N 0.49 0.53 -0.07 -1.59 -7.23 0.25 -4.90 120.40 107.88 1ztz s VAL 11 Ca 0.28 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.26 1ztz s VAL 11 Cb -0.16 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1ztz s VAL 11 CO 0.12 -0.15 0.56 -0.89 -0.31 0.00 0.00 175.10 174.43 1ztz s THR 12 N -3.77 5.07 0.22 5.32 2.01 -1.26 -0.94 115.64 122.29 1ztz s THR 12 Ca 0.33 1.15 0.10 0.00 0.31 0.00 0.00 61.69 63.59 1ztz s THR 12 Cb 0.07 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1ztz s THR 12 CO 0.10 0.34 -0.13 0.27 -0.69 0.00 0.00 174.62 174.52 1ztz s ILE 13 N 0.37 2.91 -0.15 1.82 -4.36 0.13 -1.87 121.20 120.06 1ztz s ILE 13 Ca 0.30 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 1ztz s ILE 13 Cb -0.17 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.08 1ztz s ILE 13 CO 0.14 -0.24 -0.21 -0.75 0.24 0.00 0.00 174.94 174.13 1ztz s LYS 14 N -3.14 2.94 -0.16 0.37 2.20 0.83 -0.19 119.74 122.60 1ztz s LYS 14 Ca 0.27 -0.82 -0.13 0.00 -0.36 0.00 0.00 55.97 54.93 1ztz s LYS 14 Cb -0.07 -2.41 0.05 0.00 -1.51 0.00 0.00 37.83 33.88 1ztz s LYS 14 CO 0.15 -0.06 0.41 -1.50 -0.36 0.00 0.00 175.35 173.99 1ztz s ILE 15 N 0.93 -0.01 -1.29 5.43 2.07 0.13 -0.94 121.20 127.51 1ztz s ILE 15 Ca -0.05 0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.19 1ztz s ILE 15 Cb -0.15 -0.58 0.02 0.00 0.13 0.00 0.00 42.46 41.88 1ztz s ILE 15 CO -0.04 0.01 0.28 0.61 -1.91 0.00 0.00 174.94 173.89 1ztz n GLY 16 N 3.32 -0.50 2.75 1.50 0.00 -1.26 0.04 105.19 111.04 1ztz n GLY 16 Ca -0.17 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ztz n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ztz n GLY 17 N -1.09 0.80 3.55 -0.02 0.00 -1.26 -5.01 105.19 102.17 1ztz n GLY 17 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1ztz n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ztz s GLN 18 N -0.07 2.16 -0.16 1.61 -0.21 0.11 -5.11 119.66 117.98 1ztz s GLN 18 Ca 0.00 -0.98 -0.08 0.00 0.02 0.00 0.00 55.36 54.32 1ztz s GLN 18 Cb 0.00 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1ztz s GLN 18 CO 0.00 0.53 0.12 -0.51 -2.12 0.00 0.00 175.29 173.31 1ztz s LEU 19 N -1.93 4.21 0.06 2.90 1.02 -1.26 -0.70 118.68 122.98 1ztz s LEU 19 Ca 0.19 0.30 -0.01 0.00 0.02 0.00 0.00 54.13 54.63 1ztz s LEU 19 Cb -0.11 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 1ztz s LEU 19 CO 0.11 0.27 -0.02 -0.54 0.02 0.00 0.00 176.35 176.19 1ztz s LYS 20 N -0.19 0.64 -0.05 1.70 1.02 0.73 -4.97 119.74 118.63 1ztz s LYS 20 Ca 0.10 -1.24 -0.15 0.00 0.02 0.00 0.00 55.97 54.70 1ztz s LYS 20 Cb -0.12 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 1ztz s LYS 20 CO 0.01 -0.12 0.40 -1.21 -0.92 0.00 0.00 175.35 173.51 1ztz s GLU 21 N -3.93 4.05 -0.01 1.68 0.41 -1.26 0.23 118.70 119.86 1ztz s GLU 21 Ca 0.09 0.37 -0.06 0.00 -0.41 0.00 0.00 54.97 54.96 1ztz s GLU 21 Cb 0.08 -3.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.14 1ztz s GLU 21 CO -0.09 0.52 0.12 0.00 -0.49 0.00 0.00 175.26 175.33 1ztz s ALA 22 N -0.51 -0.29 -0.19 5.21 0.00 -0.12 -4.35 121.76 121.51 1ztz s ALA 22 Ca 0.23 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.93 1ztz s ALA 22 Cb -0.16 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1ztz s ALA 22 CO 0.11 -0.17 0.62 -1.17 0.00 0.00 0.00 175.76 175.15 1ztz s LEU 23 N -1.06 4.15 -0.46 0.00 2.96 0.18 -0.59 118.68 123.87 1ztz s LEU 23 Ca -0.11 0.83 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 1ztz s LEU 23 Cb -0.06 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.77 1ztz s LEU 23 CO 0.01 -0.26 1.13 -0.76 -1.32 0.00 0.00 176.35 175.15 1ztz s LEU 24 N 1.86 3.67 -0.41 -0.68 1.43 -0.25 -0.21 118.68 124.08 1ztz s LEU 24 Ca 0.29 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1ztz s LEU 24 Cb -0.16 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.63 1ztz s LEU 24 CO 0.10 -1.21 0.17 -0.62 0.23 0.00 0.00 176.35 175.02 1ztz s ASP 25 N 2.37 4.18 0.15 2.29 -1.08 -0.50 -4.74 116.67 119.33 1ztz s ASP 25 Ca 0.48 -2.40 0.17 0.00 -0.52 0.00 0.00 52.55 50.28 1ztz s ASP 25 Cb -0.08 -1.30 0.76 0.00 -1.46 0.00 0.00 42.92 40.85 1ztz s ASP 25 CO 0.30 -0.32 1.53 0.35 0.52 0.00 0.00 175.17 177.55 1ztz n THR 26 N 3.88 1.08 1.15 1.71 -2.24 -1.26 -1.66 114.28 116.93 1ztz n THR 26 Ca 0.04 0.35 0.13 0.00 -2.27 0.00 0.00 64.05 62.31 1ztz n THR 26 Cb 0.37 -1.25 0.44 0.00 -2.10 0.00 0.00 70.33 67.79 1ztz n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ztz n GLY 27 N -0.42 -1.10 3.80 3.38 0.00 -1.26 -4.84 105.19 104.76 1ztz n GLY 27 Ca 0.02 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1ztz n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ztz s ALA 28 N -2.77 3.77 -0.03 4.61 0.00 -0.67 -4.99 121.76 121.68 1ztz s ALA 28 Ca 0.19 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 51.26 1ztz s ALA 28 Cb 0.19 -2.04 -0.25 0.00 0.00 0.00 0.00 23.12 21.02 1ztz s ALA 28 CO 0.58 0.41 1.02 0.22 0.00 0.00 0.00 175.76 177.99 1ztz h ASP 29 N 5.76 0.40 -0.85 0.00 1.82 -1.88 0.12 116.42 121.78 1ztz h ASP 29 Ca -0.48 -0.82 -0.66 0.00 -0.39 0.00 0.00 57.03 54.68 1ztz h ASP 29 Cb 1.19 -0.12 -0.13 0.00 0.68 0.00 0.00 39.33 40.95 1ztz h ASP 29 CO 0.66 1.17 -0.50 -1.81 -1.61 0.00 0.00 179.24 177.14 1ztz s ASP 30 N -6.63 3.89 -0.19 2.28 1.01 -1.26 -1.83 116.67 113.93 1ztz s ASP 30 Ca -0.14 -1.70 -0.02 0.00 0.71 0.00 0.00 52.55 51.40 1ztz s ASP 30 Cb 0.02 0.62 -0.00 0.00 1.01 0.00 0.00 42.92 44.56 1ztz s ASP 30 CO 0.79 -0.92 -0.10 -0.89 0.21 0.00 0.00 175.17 174.27 1ztz s THR 31 N -2.96 3.04 -0.11 -1.27 2.01 -1.26 -2.88 115.64 112.21 1ztz s THR 31 Ca 0.07 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1ztz s THR 31 Cb 0.01 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1ztz s THR 31 CO 0.04 0.47 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.52 1ztz s VAL 32 N 1.16 2.06 0.05 3.82 1.01 -0.63 -1.01 120.40 126.86 1ztz s VAL 32 Ca 0.01 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.07 1ztz s VAL 32 Cb -0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1ztz s VAL 32 CO -0.03 0.56 -0.23 -0.63 0.00 0.00 0.00 175.10 174.76 1ztz s ILE 33 N 0.46 2.39 1.00 2.22 -1.09 0.13 -0.83 121.20 125.47 1ztz s ILE 33 Ca -0.16 -1.36 -0.11 0.00 -2.23 0.00 0.00 60.65 56.78 1ztz s ILE 33 Cb -0.17 -1.98 0.17 0.00 -1.58 0.00 0.00 42.46 38.90 1ztz s ILE 33 CO 0.06 0.32 1.00 -1.84 -1.23 0.00 0.00 174.94 173.25 1ztz n GLU 34 N 1.58 -1.02 -1.69 2.79 0.28 -1.26 -1.48 120.64 119.85 1ztz n GLU 34 Ca -0.17 -0.24 -0.53 0.00 -0.16 0.00 0.00 57.16 56.06 1ztz n GLU 34 Cb 0.52 -2.25 -0.06 0.00 1.43 0.00 0.00 31.44 31.08 1ztz n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ztz n GLU 35 N -4.11 1.58 -3.77 3.44 4.07 -1.04 -4.50 120.64 116.30 1ztz n GLU 35 Ca 0.09 0.58 -0.08 0.00 -0.06 0.00 0.00 57.16 57.68 1ztz n GLU 35 Cb 0.53 -2.32 -0.02 0.00 -0.06 0.00 0.00 31.44 29.57 1ztz n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ztz s MET 36 N 3.34 1.67 -0.17 5.31 0.23 -1.26 -5.02 119.30 123.39 1ztz s MET 36 Ca 0.94 -0.89 -0.24 0.00 -1.03 0.00 0.00 55.69 54.48 1ztz s MET 36 Cb -0.90 0.60 -0.02 0.00 -1.53 0.00 0.00 34.83 32.98 1ztz s MET 36 CO 0.58 -0.75 0.77 -1.54 -2.03 0.00 0.00 175.02 172.04 1ztz s SER 37 N -2.89 6.88 0.12 -1.18 1.04 -1.26 -5.04 113.70 111.38 1ztz s SER 37 Ca 0.09 1.08 0.08 0.00 0.48 0.00 0.00 55.95 57.68 1ztz s SER 37 Cb -0.05 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 1ztz s SER 37 CO 0.03 -0.35 -0.19 -0.76 0.98 0.00 0.00 173.24 172.94 1ztz s LEU 38 N 2.03 2.35 0.36 2.42 1.43 -1.26 -4.86 118.68 121.16 1ztz s LEU 38 Ca 0.36 -0.75 0.24 0.00 -1.03 0.00 0.00 54.13 52.95 1ztz s LEU 38 Cb -0.16 -0.81 0.52 0.00 0.03 0.00 0.00 46.19 45.77 1ztz s LEU 38 CO 0.12 -0.00 1.67 1.55 0.23 0.00 0.00 176.35 179.92 1ztz h PRO 39 N 3.78 0.00 -7.06 1.29 0.13 -1.99 -3.47 132.00 124.67 1ztz h PRO 39 Ca -0.44 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.30 1ztz h PRO 39 Cb 1.19 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.54 1ztz h PRO 39 CO 0.44 0.00 -0.09 0.20 -0.23 0.00 0.00 178.00 178.32 1ztz s GLY 40 N -3.99 1.44 0.63 1.56 0.00 -1.26 -5.04 107.32 100.65 1ztz s GLY 40 Ca 0.08 -0.72 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 1ztz s GLY 40 CO 0.64 0.24 1.06 1.09 0.00 0.00 0.00 173.10 176.14 1ztz s ARG 41 N -4.99 3.12 0.30 2.90 1.04 -1.26 -5.11 118.95 114.95 1ztz s ARG 41 Ca 0.69 1.16 0.04 0.00 -1.04 0.00 0.00 55.73 56.58 1ztz s ARG 41 Cb -0.15 -2.01 -0.03 0.00 -2.04 0.00 0.00 34.95 30.72 1ztz s ARG 41 CO 0.59 -0.96 0.19 1.67 -0.04 0.00 0.00 175.30 176.75 1ztz s TRP 42 N -2.60 1.58 -0.07 5.89 -2.14 -1.26 -4.59 118.94 115.75 1ztz s TRP 42 Ca 0.62 -1.47 0.04 0.00 2.66 0.00 0.00 56.10 57.95 1ztz s TRP 42 Cb -0.16 -0.77 0.00 0.00 -3.10 0.00 0.00 33.47 29.44 1ztz s TRP 42 CO 0.42 -0.65 -0.17 0.15 -2.66 0.00 0.00 176.95 174.04 1ztz s LYS 43 N -3.75 2.11 0.25 3.25 1.02 -0.18 -4.91 119.74 117.54 1ztz s LYS 43 Ca 0.37 -0.62 -0.31 0.00 0.02 0.00 0.00 55.97 55.44 1ztz s LYS 43 Cb 0.04 -1.71 -0.13 0.00 -0.52 0.00 0.00 37.83 35.51 1ztz s LYS 43 CO 0.20 0.15 1.43 -0.35 -0.92 0.00 0.00 175.35 175.86 1ztz n PRO 44 N 3.48 2.14 -4.01 -1.68 -0.04 -1.26 -0.26 135.00 133.37 1ztz n PRO 44 Ca -0.20 0.76 -0.08 0.00 -0.04 0.00 0.00 63.50 63.94 1ztz n PRO 44 Cb 0.52 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.46 1ztz n PRO 44 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ztz s LYS 45 N -0.45 0.63 -0.09 0.54 3.01 -0.55 -4.86 119.74 117.97 1ztz s LYS 45 Ca 0.67 -1.04 0.01 0.00 -1.01 0.00 0.00 55.97 54.60 1ztz s LYS 45 Cb -0.62 0.23 -0.02 0.00 -1.01 0.00 0.00 37.83 36.41 1ztz s LYS 45 CO 0.50 -0.14 -0.11 -1.64 0.51 0.00 0.00 175.35 174.46 1ztz s MET 46 N -3.51 2.98 0.22 1.68 -1.94 -1.26 -0.02 119.30 117.46 1ztz s MET 46 Ca 0.03 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 1ztz s MET 46 Cb 0.05 -2.57 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 1ztz s MET 46 CO -0.09 0.45 0.11 0.96 -0.01 0.00 0.00 175.02 176.44 1ztz s ILE 47 N -0.27 0.29 0.14 2.53 -4.36 0.19 -4.76 121.20 114.97 1ztz s ILE 47 Ca 0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1ztz s ILE 47 Cb -0.13 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.05 1ztz s ILE 47 CO 0.03 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.78 1ztz n GLY 48 N -0.35 -1.75 7.00 6.27 0.00 -1.26 0.04 105.19 115.13 1ztz n GLY 48 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1ztz n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ztz n GLY 49 N -2.54 0.39 3.14 -0.02 0.00 -1.26 -1.05 105.19 103.85 1ztz n GLY 49 Ca -0.00 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1ztz n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ztz s ILE 50 N 0.00 4.35 0.00 -0.61 1.01 -1.26 -4.39 121.20 120.31 1ztz s ILE 50 Ca 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 60.65 57.26 1ztz s ILE 50 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1ztz s ILE 50 CO 0.00 -1.01 0.00 0.61 0.00 0.00 0.00 174.94 174.54 1ztz n GLY 51 N 2.91 0.81 0.00 6.18 0.00 -1.26 -4.99 105.19 108.85 1ztz n GLY 51 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ztz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ztz n GLY 52 N -2.35 3.65 0.00 -0.02 0.00 -0.21 -4.95 105.19 101.31 1ztz n GLY 52 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1ztz n GLY 52 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ztz n PHE 53 N 0.08 0.00 -4.66 1.61 7.35 0.11 -4.71 117.46 117.24 1ztz n PHE 53 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 1ztz n PHE 53 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 1ztz n PHE 53 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 1ztz s ILE 54 N -1.11 1.34 0.05 -2.13 -4.36 -0.19 -4.95 121.20 109.85 1ztz s ILE 54 Ca 0.00 -0.87 -0.29 0.00 -0.26 0.00 0.00 60.65 59.24 1ztz s ILE 54 Cb 0.00 -1.14 -0.05 0.00 1.25 0.00 0.00 42.46 42.52 1ztz s ILE 54 CO 0.00 0.26 0.92 -0.54 0.24 0.00 0.00 174.94 175.81 1ztz s LYS 55 N -0.71 4.60 0.23 0.37 1.02 -1.26 -0.64 119.74 123.36 1ztz s LYS 55 Ca 0.06 1.34 0.02 0.00 0.02 0.00 0.00 55.97 57.40 1ztz s LYS 55 Cb -0.07 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.78 1ztz s LYS 55 CO 0.00 0.13 0.05 0.14 -0.92 0.00 0.00 175.35 174.76 1ztz s VAL 56 N 0.36 0.69 -0.16 3.17 -7.23 0.97 -4.57 120.40 113.63 1ztz s VAL 56 Ca 0.46 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1ztz s VAL 56 Cb -0.22 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1ztz s VAL 56 CO 0.27 -0.18 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.65 1ztz s ARG 57 N -3.97 3.41 -0.39 4.82 0.52 0.13 -1.48 118.95 122.00 1ztz s ARG 57 Ca 0.32 -0.65 -0.19 0.00 -0.52 0.00 0.00 55.73 54.70 1ztz s ARG 57 Cb 0.07 -2.78 0.01 0.00 0.52 0.00 0.00 34.95 32.77 1ztz s ARG 57 CO 0.10 0.08 0.54 -1.14 0.02 0.00 0.00 175.30 174.90 1ztz s GLN 58 N 0.71 3.42 -0.25 3.54 0.74 0.64 0.27 119.66 128.73 1ztz s GLN 58 Ca -0.04 -0.33 -0.08 0.00 0.05 0.00 0.00 55.36 54.95 1ztz s GLN 58 Cb -0.15 -3.88 -0.03 0.00 1.10 0.00 0.00 33.01 30.05 1ztz s GLN 58 CO 0.02 -0.79 0.08 0.71 -0.55 0.00 0.00 175.29 174.76 1ztz s TYR 59 N 2.47 3.10 0.46 1.67 1.51 -0.31 -1.01 117.35 125.24 1ztz s TYR 59 Ca 0.19 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1ztz s TYR 59 Cb -0.15 -2.26 -0.04 0.00 -0.11 0.00 0.00 41.96 39.40 1ztz s TYR 59 CO 0.15 -0.34 0.75 -0.51 -1.11 0.00 0.00 175.55 174.49 1ztz s ASP 60 N 1.63 6.29 -1.40 2.29 1.01 -1.26 -1.15 116.67 124.08 1ztz s ASP 60 Ca 0.06 0.88 -0.08 0.00 0.71 0.00 0.00 52.55 54.12 1ztz s ASP 60 Cb -0.15 -2.23 0.04 0.00 1.01 0.00 0.00 42.92 41.59 1ztz s ASP 60 CO 0.04 -0.52 1.00 0.00 0.21 0.00 0.00 175.17 175.90 1ztz n GLN 61 N -2.11 -6.32 -3.40 8.23 6.02 -1.17 -4.89 117.38 113.74 1ztz n GLN 61 Ca -0.00 0.71 -0.37 0.00 -0.01 0.00 0.00 57.00 57.32 1ztz n GLN 61 Cb 0.55 -5.60 -0.06 0.00 1.02 0.00 0.00 30.24 26.15 1ztz n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ztz s ILE 62 N -3.38 5.20 -0.02 5.09 -1.09 0.96 -4.75 121.20 123.21 1ztz s ILE 62 Ca 0.44 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 59.40 1ztz s ILE 62 Cb -0.21 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1ztz s ILE 62 CO 0.78 0.37 0.94 -0.63 -1.23 0.00 0.00 174.94 175.17 1ztz s ILE 63 N 0.37 4.89 0.04 2.92 1.01 -1.26 -1.50 121.20 127.67 1ztz s ILE 63 Ca 0.23 1.96 0.02 0.00 0.00 0.00 0.00 60.65 62.86 1ztz s ILE 63 Cb -0.15 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 1ztz s ILE 63 CO 0.09 0.16 -0.07 -0.51 0.00 0.00 0.00 174.94 174.61 1ztz s ILE 64 N 1.06 0.50 -0.11 2.92 2.07 -0.43 -4.51 121.20 122.69 1ztz s ILE 64 Ca 0.49 -0.99 0.03 0.00 -1.41 0.00 0.00 60.65 58.78 1ztz s ILE 64 Cb -0.20 -0.56 0.00 0.00 0.13 0.00 0.00 42.46 41.83 1ztz s ILE 64 CO 0.26 -0.35 -0.23 -0.70 -1.91 0.00 0.00 174.94 172.01 1ztz s GLU 65 N -1.45 3.01 -0.26 3.50 2.12 -0.12 -1.14 118.70 124.37 1ztz s GLU 65 Ca -0.09 -0.86 0.01 0.00 0.36 0.00 0.00 54.97 54.39 1ztz s GLU 65 Cb -0.09 -2.32 0.05 0.00 0.26 0.00 0.00 34.13 32.03 1ztz s GLU 65 CO 0.00 0.12 -0.09 0.42 -0.54 0.00 0.00 175.26 175.17 1ztz s ILE 66 N 0.49 2.40 -1.47 -3.70 1.01 0.69 -0.12 121.20 120.50 1ztz s ILE 66 Ca -0.15 -1.45 -0.02 0.00 0.00 0.00 0.00 60.65 59.03 1ztz s ILE 66 Cb -0.17 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1ztz s ILE 66 CO 0.06 0.04 0.20 0.00 0.00 0.00 0.00 174.94 175.24 1ztz n GLY 68 N -2.32 1.20 3.41 0.00 0.00 -1.26 -4.94 105.19 101.29 1ztz n GLY 68 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1ztz n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ztz s HIS 69 N -3.89 3.05 0.21 1.61 4.02 0.09 -5.09 115.29 115.28 1ztz s HIS 69 Ca 0.00 -0.54 -0.21 0.00 1.02 0.00 0.00 55.06 55.32 1ztz s HIS 69 Cb 0.00 -2.20 -0.08 0.00 -1.02 0.00 0.00 32.58 29.28 1ztz s HIS 69 CO 0.00 -0.40 0.74 0.15 1.02 0.00 0.00 174.74 176.25 1ztz s LYS 70 N 1.54 4.34 0.07 1.40 1.02 -1.26 -0.23 119.74 126.63 1ztz s LYS 70 Ca 0.06 0.95 -0.12 0.00 0.02 0.00 0.00 55.97 56.89 1ztz s LYS 70 Cb -0.15 -2.98 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1ztz s LYS 70 CO 0.02 0.44 0.26 0.00 -0.92 0.00 0.00 175.35 175.15 1ztz s ALA 71 N -1.42 -0.50 0.02 5.17 0.00 -0.29 -4.74 121.76 119.99 1ztz s ALA 71 Ca 0.41 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.14 1ztz s ALA 71 Cb -0.18 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1ztz s ALA 71 CO 0.22 -0.48 -0.15 0.96 0.00 0.00 0.00 175.76 176.31 1ztz s ILE 72 N -3.26 1.18 -0.47 0.00 -0.00 -1.26 -1.32 121.20 116.06 1ztz s ILE 72 Ca 0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 60.65 59.80 1ztz s ILE 72 Cb 0.02 -1.02 0.00 0.00 -0.00 0.00 0.00 42.46 41.45 1ztz s ILE 72 CO -0.08 0.16 0.00 0.61 -0.00 0.00 0.00 174.94 175.63 1ztz n GLY 73 N 2.25 -0.96 3.70 6.27 0.00 -0.56 -4.87 105.19 111.03 1ztz n GLY 73 Ca -0.16 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1ztz n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ztz s THR 74 N -3.00 4.79 -0.11 2.61 2.01 -1.26 -0.03 115.64 120.65 1ztz s THR 74 Ca 0.00 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.04 1ztz s THR 74 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 1ztz s THR 74 CO 0.00 0.10 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.15 1ztz s VAL 75 N 1.37 2.45 -0.09 3.82 1.01 -0.30 -4.54 120.40 124.11 1ztz s VAL 75 Ca 0.51 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1ztz s VAL 75 Cb -0.21 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1ztz s VAL 75 CO 0.25 0.55 0.34 -0.76 0.00 0.00 0.00 175.10 175.47 1ztz s LEU 76 N 0.36 4.36 -0.15 3.92 1.43 -0.18 -1.16 118.68 127.25 1ztz s LEU 76 Ca -0.16 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1ztz s LEU 76 Cb -0.17 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1ztz s LEU 76 CO 0.07 0.21 -0.21 -0.69 0.23 0.00 0.00 176.35 175.97 1ztz s VAL 77 N -0.30 2.13 0.17 -1.59 1.01 0.14 0.17 120.40 122.13 1ztz s VAL 77 Ca 0.20 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 1ztz s VAL 77 Cb -0.15 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.45 1ztz s VAL 77 CO 0.08 0.54 1.06 -0.83 0.00 0.00 0.00 175.10 175.96 1ztz s GLY 78 N 0.95 0.12 0.00 4.51 0.00 -0.55 0.20 107.32 112.55 1ztz s GLY 78 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1ztz s GLY 78 CO -0.05 2.95 0.38 -1.55 0.00 0.00 0.00 173.10 174.84 1ztz n PRO 79 N -0.74 0.22 -2.16 2.90 -0.04 -1.26 -2.51 135.00 131.42 1ztz n PRO 79 Ca -0.02 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.03 1ztz n PRO 79 Cb 0.59 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 1ztz n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ztz s THR 80 N 1.32 2.84 -0.51 0.52 -1.32 -1.26 -4.90 115.64 112.35 1ztz s THR 80 Ca 0.00 0.82 0.26 0.00 -1.21 0.00 0.00 61.69 61.56 1ztz s THR 80 Cb 0.00 -3.52 0.30 0.00 -1.51 0.00 0.00 72.50 67.77 1ztz s THR 80 CO 0.00 0.18 1.76 1.55 -2.21 0.00 0.00 174.62 175.90 1ztz h PRO 81 N 3.76 0.00 -3.72 7.08 0.13 -1.98 -3.43 132.00 133.84 1ztz h PRO 81 Ca -0.48 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.26 1ztz h PRO 81 Cb 1.22 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.99 1ztz h PRO 81 CO 0.68 0.00 -0.76 0.08 -0.23 0.00 0.00 178.00 177.77 1ztz s VAL 82 N -3.25 0.27 0.01 1.56 1.01 -1.26 -5.09 120.40 113.65 1ztz s VAL 82 Ca 0.07 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1ztz s VAL 82 Cb 0.10 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1ztz s VAL 82 CO 0.55 0.20 1.34 0.20 0.00 0.00 0.00 175.10 177.39 1ztz s ASN 83 N 1.44 6.91 -0.16 3.32 0.01 -1.26 -4.82 114.94 120.37 1ztz s ASN 83 Ca -0.04 2.08 0.01 0.00 -0.71 0.00 0.00 52.86 54.21 1ztz s ASN 83 Cb -0.13 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 38.97 1ztz s ASN 83 CO -0.03 -0.66 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.09 1ztz s ILE 84 N 2.02 2.30 -0.40 0.60 -1.09 -0.01 0.51 121.20 125.13 1ztz s ILE 84 Ca 0.62 -0.88 -0.15 0.00 -2.23 0.00 0.00 60.65 58.00 1ztz s ILE 84 Cb -0.31 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 38.63 1ztz s ILE 84 CO 0.27 0.53 0.34 -0.63 -1.23 0.00 0.00 174.94 174.22 1ztz s ILE 85 N 1.03 5.20 0.28 2.92 -1.09 0.70 -1.60 121.20 128.64 1ztz s ILE 85 Ca -0.01 -0.43 -0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1ztz s ILE 85 Cb -0.14 -3.93 0.06 0.00 -1.58 0.00 0.00 42.46 36.86 1ztz s ILE 85 CO -0.06 -0.29 0.38 0.61 -1.23 0.00 0.00 174.94 174.35 1ztz n GLY 86 N 5.12 0.29 0.20 6.18 0.00 -1.14 -1.42 105.19 114.42 1ztz n GLY 86 Ca -0.10 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 44.06 1ztz n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ztz h ARG 87 N 0.00 0.00 -0.77 1.61 3.08 -0.57 -0.05 114.38 117.69 1ztz h ARG 87 Ca -0.12 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.05 1ztz h ARG 87 Cb 0.43 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 1ztz h ARG 87 CO 0.12 0.31 0.51 -2.95 -1.07 0.00 0.00 179.97 176.89 1ztz h ASN 88 N 0.00 0.54 0.08 7.04 -1.07 -1.62 -1.16 115.58 119.39 1ztz h ASN 88 Ca -0.00 0.02 -0.36 0.00 0.07 0.00 0.00 56.30 56.02 1ztz h ASN 88 Cb 0.63 -0.09 -0.06 0.00 -2.07 0.00 0.00 38.32 36.73 1ztz h ASN 88 CO 0.04 0.30 -2.29 0.18 0.07 0.00 0.00 177.43 175.74 1ztz n LEU 89 N -4.50 1.26 -0.17 6.14 4.77 -0.84 -4.08 117.00 119.58 1ztz n LEU 89 Ca 0.14 0.03 0.07 0.00 -0.03 0.00 0.00 56.01 56.22 1ztz n LEU 89 Cb 0.42 -0.12 0.38 0.00 -2.33 0.00 0.00 43.42 41.76 1ztz n LEU 89 CO 0.32 0.65 1.21 -0.07 -1.33 0.00 0.00 177.39 178.17 1ztz h LEU 90 N 0.01 0.62 -0.82 2.23 3.38 -0.76 -1.27 115.31 118.70 1ztz h LEU 90 Ca -0.51 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.35 1ztz h LEU 90 Cb 2.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1ztz h LEU 90 CO 0.01 0.40 -0.40 0.71 0.09 0.00 0.00 178.44 179.24 1ztz h THR 91 N 0.70 1.30 -0.13 0.22 1.35 -1.41 0.91 112.91 115.86 1ztz h THR 91 Ca 0.31 -1.53 -0.06 0.00 -0.55 0.00 0.00 66.41 64.57 1ztz h THR 91 Cb 0.30 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1ztz h THR 91 CO -0.10 0.47 -0.20 1.56 -0.25 0.00 0.00 175.52 177.00 1ztz h GLN 92 N 0.34 0.21 -0.34 4.72 1.08 -1.39 -1.11 115.11 118.63 1ztz h GLN 92 Ca 0.03 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1ztz h GLN 92 Cb 0.85 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1ztz h GLN 92 CO 0.07 0.41 0.00 0.44 -0.95 0.00 0.00 178.83 178.80 1ztz n ILE 93 N -4.22 0.45 -2.82 2.54 -5.35 -1.04 -4.84 119.36 104.08 1ztz n ILE 93 Ca -0.01 -0.51 -0.14 0.00 -0.27 0.00 0.00 62.75 61.82 1ztz n ILE 93 Cb 0.32 0.36 0.03 0.00 -1.74 0.00 0.00 39.64 38.60 1ztz n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ztz n GLY 94 N 1.18 -0.06 3.70 3.28 0.00 -0.42 -4.98 105.19 107.89 1ztz n GLY 94 Ca 0.15 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1ztz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ztz s THR 96 N 1.39 1.71 0.05 0.00 -4.23 -1.26 -4.63 115.64 108.67 1ztz s THR 96 Ca 0.47 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.81 1ztz s THR 96 Cb -0.19 -1.86 -0.06 0.00 1.34 0.00 0.00 72.50 71.72 1ztz s THR 96 CO 0.21 -0.43 0.52 -0.76 -0.54 0.00 0.00 174.62 173.62 1ztz s LEU 97 N -2.87 4.51 -0.02 4.79 1.43 -1.26 -5.09 118.68 120.18 1ztz s LEU 97 Ca 0.17 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 1ztz s LEU 97 Cb -0.04 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1ztz s LEU 97 CO 0.06 0.29 -0.01 0.20 0.23 0.00 0.00 176.35 177.11 1ztz s ASN 98 N -1.12 0.36 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.06 1ztz s ASN 98 Ca 0.28 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.53 1ztz s ASN 98 Cb -0.19 -0.13 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 1ztz s ASN 98 CO 0.17 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.89