#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdt s GLN 2 N 0.00 3.80 -0.20 0.54 0.74 -1.26 -5.09 119.66 118.19 1sdt s GLN 2 Ca 0.00 -0.41 -0.03 0.00 0.05 0.00 0.00 55.36 54.97 1sdt s GLN 2 Cb 0.00 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.72 1sdt s GLN 2 CO 0.00 -0.08 -0.06 0.42 -0.55 0.00 0.00 175.29 175.02 1sdt s ILE 3 N 1.36 3.35 0.84 -2.34 1.01 -1.26 -5.11 121.20 119.06 1sdt s ILE 3 Ca 0.06 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 1sdt s ILE 3 Cb -0.15 -2.50 0.10 0.00 0.01 0.00 0.00 42.46 39.92 1sdt s ILE 3 CO 0.05 0.45 1.19 0.42 0.00 0.00 0.00 174.94 177.04 1sdt s THR 4 N 1.18 2.00 -0.13 2.92 -4.23 -1.26 -5.02 115.64 111.10 1sdt s THR 4 Ca 0.02 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.70 1sdt s THR 4 Cb -0.14 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 71.04 1sdt s THR 4 CO -0.01 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.42 1sdt n LEU 5 N -3.45 2.51 0.13 4.79 4.77 -1.26 -4.63 117.00 119.86 1sdt n LEU 5 Ca 0.09 -2.99 0.03 0.00 -0.03 0.00 0.00 56.01 53.10 1sdt n LEU 5 Cb 0.61 -0.41 0.42 0.00 -2.33 0.00 0.00 43.42 41.71 1sdt n LEU 5 CO 0.56 0.69 0.93 -0.50 -1.33 0.00 0.00 177.39 177.74 1sdt h TRP 6 N 0.23 0.24 -2.99 -1.77 4.06 -2.06 -3.43 115.95 110.22 1sdt h TRP 6 Ca 0.00 -0.02 -0.45 0.00 2.06 0.00 0.00 58.89 60.48 1sdt h TRP 6 Cb 1.01 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 28.96 1sdt h TRP 6 CO 0.06 0.32 -0.63 -1.59 -3.56 0.00 0.00 178.44 173.04 1sdt s LYS 7 N -4.82 1.55 0.19 0.49 -2.85 -1.26 -5.11 119.74 107.92 1sdt s LYS 7 Ca -0.06 -1.84 -0.33 0.00 -1.00 0.00 0.00 55.97 52.75 1sdt s LYS 7 Cb 0.16 -0.80 -0.14 0.00 -2.06 0.00 0.00 37.83 34.98 1sdt s LYS 7 CO 0.72 -0.15 1.47 0.54 0.10 0.00 0.00 175.35 178.04 1sdt n ARG 8 N -0.60 1.99 -2.64 1.78 1.74 -1.26 -4.85 116.66 112.82 1sdt n ARG 8 Ca -0.03 0.71 -0.43 0.00 -0.77 0.00 0.00 57.85 57.33 1sdt n ARG 8 Cb 0.66 -2.42 -0.00 0.00 -1.02 0.00 0.00 32.46 29.67 1sdt n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sdt s PRO 9 N 0.28 3.94 -0.05 5.56 0.04 -1.26 -4.95 135.00 138.56 1sdt s PRO 9 Ca 0.75 -1.96 -0.15 0.00 0.04 0.00 0.00 61.00 59.68 1sdt s PRO 9 Cb -0.69 -5.44 -0.05 0.00 0.04 0.00 0.00 34.50 28.36 1sdt s PRO 9 CO 0.44 -2.17 0.40 -0.51 0.04 0.00 0.00 177.00 175.19 1sdt s LEU 10 N 3.93 4.39 0.16 -3.56 1.43 -1.26 -0.99 118.68 122.79 1sdt s LEU 10 Ca 0.51 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1sdt s LEU 10 Cb 0.02 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1sdt s LEU 10 CO 0.04 0.22 0.01 0.68 0.23 0.00 0.00 176.35 177.53 1sdt s VAL 11 N -0.46 0.55 0.06 -1.59 -7.23 0.05 -4.95 120.40 106.84 1sdt s VAL 11 Ca 0.23 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 58.21 1sdt s VAL 11 Cb -0.16 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 1sdt s VAL 11 CO 0.11 -0.49 0.68 -0.89 -0.31 0.00 0.00 175.10 174.19 1sdt s THR 12 N -3.74 4.71 0.23 5.32 2.01 -1.26 -0.55 115.64 122.36 1sdt s THR 12 Ca 0.23 1.45 0.10 0.00 0.31 0.00 0.00 61.69 63.78 1sdt s THR 12 Cb 0.06 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1sdt s THR 12 CO 0.03 0.45 -0.19 0.27 -0.69 0.00 0.00 174.62 174.49 1sdt s ILE 13 N -0.54 2.19 -0.15 1.82 -4.36 0.35 -1.04 121.20 119.49 1sdt s ILE 13 Ca 0.34 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 1sdt s ILE 13 Cb -0.20 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.38 1sdt s ILE 13 CO 0.21 -0.38 -0.21 -0.75 0.24 0.00 0.00 174.94 174.05 1sdt s LYS 14 N -3.28 2.91 -0.10 0.37 2.20 0.07 -1.51 119.74 120.39 1sdt s LYS 14 Ca 0.25 -0.81 -0.06 0.00 -0.36 0.00 0.00 55.97 54.98 1sdt s LYS 14 Cb -0.05 -2.40 0.04 0.00 -1.51 0.00 0.00 37.83 33.92 1sdt s LYS 14 CO 0.11 -0.07 0.25 -1.50 -0.36 0.00 0.00 175.35 173.79 1sdt s ILE 15 N 0.95 -0.03 -1.49 5.43 2.07 -0.19 -1.44 121.20 126.50 1sdt s ILE 15 Ca -0.04 0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.28 1sdt s ILE 15 Cb -0.15 -0.38 0.01 0.00 0.13 0.00 0.00 42.46 42.07 1sdt s ILE 15 CO -0.04 0.04 0.16 0.61 -1.91 0.00 0.00 174.94 173.79 1sdt n GLY 16 N 3.84 -0.50 2.63 1.50 0.00 -1.26 -0.91 105.19 110.49 1sdt n GLY 16 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1sdt n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sdt n GLY 17 N -1.06 0.83 3.49 -0.02 0.00 -1.26 -5.02 105.19 102.15 1sdt n GLY 17 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1sdt n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sdt s GLN 18 N -0.01 2.21 -0.06 1.61 -0.21 -0.09 -5.12 119.66 117.99 1sdt s GLN 18 Ca 0.00 -0.90 -0.16 0.00 0.02 0.00 0.00 55.36 54.31 1sdt s GLN 18 Cb 0.00 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 1sdt s GLN 18 CO 0.00 0.56 0.43 -0.51 -2.12 0.00 0.00 175.29 173.65 1sdt s LEU 19 N -1.38 4.37 0.05 2.90 1.43 -1.26 -1.02 118.68 123.76 1sdt s LEU 19 Ca 0.15 0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1sdt s LEU 19 Cb -0.11 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1sdt s LEU 19 CO 0.05 0.17 -0.03 -0.54 0.23 0.00 0.00 176.35 176.23 1sdt s LYS 20 N -0.23 0.56 -0.09 1.70 1.02 -0.57 -4.99 119.74 117.14 1sdt s LYS 20 Ca 0.24 -1.10 -0.15 0.00 0.02 0.00 0.00 55.97 54.98 1sdt s LYS 20 Cb -0.16 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 1sdt s LYS 20 CO 0.11 -0.09 0.39 -1.21 -0.92 0.00 0.00 175.35 173.63 1sdt s GLU 21 N -3.41 4.15 0.04 1.68 0.41 -1.26 -0.49 118.70 119.81 1sdt s GLU 21 Ca 0.02 0.32 -0.03 0.00 -0.41 0.00 0.00 54.97 54.87 1sdt s GLU 21 Cb 0.04 -3.35 -0.03 0.00 -1.78 0.00 0.00 34.13 29.01 1sdt s GLU 21 CO -0.08 0.38 0.02 0.00 -0.49 0.00 0.00 175.26 175.09 1sdt s ALA 22 N -0.04 0.23 -0.20 5.21 0.00 0.29 -4.40 121.76 122.85 1sdt s ALA 22 Ca 0.22 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 1sdt s ALA 22 Cb -0.15 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1sdt s ALA 22 CO 0.09 -0.33 0.32 -1.17 0.00 0.00 0.00 175.76 174.67 1sdt s LEU 23 N -2.45 4.17 -0.53 0.00 2.96 0.24 -0.77 118.68 122.31 1sdt s LEU 23 Ca -0.00 0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 54.06 1sdt s LEU 23 Cb 0.02 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.34 1sdt s LEU 23 CO -0.07 0.00 1.22 -0.76 -1.32 0.00 0.00 176.35 175.42 1sdt s LEU 24 N 1.01 3.51 -0.39 -0.68 1.43 -0.16 -0.68 118.68 122.73 1sdt s LEU 24 Ca 0.16 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 1sdt s LEU 24 Cb -0.14 -3.31 0.11 0.00 0.03 0.00 0.00 46.19 42.88 1sdt s LEU 24 CO 0.06 -1.43 0.13 -0.62 0.23 0.00 0.00 176.35 174.72 1sdt s ASP 25 N 3.07 4.36 0.57 2.29 -1.08 -0.40 -4.79 116.67 120.69 1sdt s ASP 25 Ca 0.47 -2.32 0.36 0.00 -0.52 0.00 0.00 52.55 50.54 1sdt s ASP 25 Cb -0.08 -1.39 1.62 0.00 -1.46 0.00 0.00 42.92 41.61 1sdt s ASP 25 CO 0.28 -0.34 2.08 0.71 0.52 0.00 0.00 175.17 178.43 1sdt h THR 26 N 6.14 0.06 0.00 1.71 1.35 -1.93 -2.11 112.91 118.12 1sdt h THR 26 Ca -0.06 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1sdt h THR 26 Cb 0.98 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1sdt h THR 26 CO 0.54 0.02 -0.05 0.61 -0.25 0.00 0.00 175.52 176.39 1sdt n GLY 27 N -0.28 -1.54 3.66 5.82 0.00 -1.26 -4.80 105.19 106.79 1sdt n GLY 27 Ca -0.00 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1sdt n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdt s ALA 28 N -3.03 3.55 0.27 4.61 0.00 -0.79 -4.96 121.76 121.40 1sdt s ALA 28 Ca 0.13 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.71 1sdt s ALA 28 Cb 0.17 -2.84 0.36 0.00 0.00 0.00 0.00 23.12 20.81 1sdt s ALA 28 CO 0.56 -0.49 1.65 -0.44 0.00 0.00 0.00 175.76 177.05 1sdt h ASP 29 N 7.52 0.36 -2.49 0.00 3.32 -1.87 0.60 116.42 123.86 1sdt h ASP 29 Ca -0.33 -0.16 -0.57 0.00 0.02 0.00 0.00 57.03 56.00 1sdt h ASP 29 Cb 1.15 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.46 1sdt h ASP 29 CO 0.74 0.75 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.45 1sdt s ASP 30 N -6.87 3.31 -0.20 6.45 1.01 -1.26 -3.06 116.67 116.05 1sdt s ASP 30 Ca -0.05 -1.03 -0.13 0.00 0.71 0.00 0.00 52.55 52.05 1sdt s ASP 30 Cb 0.13 -0.25 -0.05 0.00 1.01 0.00 0.00 42.92 43.76 1sdt s ASP 30 CO 0.79 -0.02 0.26 -0.89 0.21 0.00 0.00 175.17 175.52 1sdt s THR 31 N -2.63 5.31 -0.08 -1.27 2.01 -1.26 -3.34 115.64 114.38 1sdt s THR 31 Ca 0.28 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 1sdt s THR 31 Cb -0.04 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.90 1sdt s THR 31 CO 0.13 0.35 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.69 1sdt s VAL 32 N 0.80 0.59 0.03 3.82 1.01 -0.30 -0.88 120.40 125.47 1sdt s VAL 32 Ca 0.13 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1sdt s VAL 32 Cb -0.13 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1sdt s VAL 32 CO 0.04 0.29 -0.20 -0.63 0.00 0.00 0.00 175.10 174.59 1sdt s ILE 33 N 1.74 2.60 1.03 2.22 -1.09 0.20 -0.49 121.20 127.42 1sdt s ILE 33 Ca 0.03 -1.18 -0.12 0.00 -2.23 0.00 0.00 60.65 57.15 1sdt s ILE 33 Cb -0.13 -2.06 0.20 0.00 -1.58 0.00 0.00 42.46 38.90 1sdt s ILE 33 CO -0.05 0.39 1.02 -1.84 -1.23 0.00 0.00 174.94 173.22 1sdt n GLU 34 N 1.75 -1.31 -1.66 2.79 0.28 -1.26 -1.41 120.64 119.84 1sdt n GLU 34 Ca -0.16 -0.33 -0.48 0.00 -0.16 0.00 0.00 57.16 56.02 1sdt n GLU 34 Cb 0.52 -2.24 -0.05 0.00 1.43 0.00 0.00 31.44 31.10 1sdt n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1sdt n GLU 35 N -4.34 1.91 -3.51 3.44 -0.58 -1.24 -4.59 120.64 111.72 1sdt n GLU 35 Ca 0.08 0.69 -0.10 0.00 -0.42 0.00 0.00 57.16 57.41 1sdt n GLU 35 Cb 0.53 -2.44 -0.02 0.00 -0.57 0.00 0.00 31.44 28.94 1sdt n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sdt s MET 36 N 1.29 1.18 0.16 3.49 0.23 -1.26 -5.05 119.30 119.34 1sdt s MET 36 Ca 0.82 -0.48 -0.26 0.00 -1.03 0.00 0.00 55.69 54.74 1sdt s MET 36 Cb -0.75 0.51 -0.08 0.00 -1.53 0.00 0.00 34.83 32.98 1sdt s MET 36 CO 0.42 -0.52 0.79 -1.12 -2.03 0.00 0.00 175.02 172.56 1sdt s SER 37 N -2.70 7.40 0.05 -1.18 0.01 -1.26 -5.04 113.70 110.98 1sdt s SER 37 Ca 0.04 1.66 0.03 0.00 1.31 0.00 0.00 55.95 58.98 1sdt s SER 37 Cb -0.02 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 1sdt s SER 37 CO -0.09 0.19 -0.09 -0.76 0.41 0.00 0.00 173.24 172.91 1sdt s LEU 38 N -1.07 2.28 0.66 2.44 1.43 -1.26 -4.89 118.68 118.27 1sdt s LEU 38 Ca 0.36 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 1sdt s LEU 38 Cb -0.23 -0.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 1sdt s LEU 38 CO 0.27 -0.20 1.05 -2.16 0.23 0.00 0.00 176.35 175.53 1sdt s PRO 39 N -1.78 3.29 0.44 1.29 0.04 -1.26 -4.97 135.00 132.05 1sdt s PRO 39 Ca -0.07 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1sdt s PRO 39 Cb -0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1sdt s PRO 39 CO 0.00 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1sdt n GLY 40 N -2.46 -2.24 3.87 0.56 0.00 -1.26 -4.92 105.19 98.74 1sdt n GLY 40 Ca 0.07 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 1sdt n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sdt s ARG 41 N -0.26 3.56 0.11 1.61 1.81 -1.26 -5.08 118.95 119.45 1sdt s ARG 41 Ca 0.00 0.72 -0.07 0.00 -1.72 0.00 0.00 55.73 54.65 1sdt s ARG 41 Cb 0.00 -2.09 -0.01 0.00 -0.45 0.00 0.00 34.95 32.40 1sdt s ARG 41 CO 0.00 -0.58 0.19 1.67 -0.68 0.00 0.00 175.30 175.90 1sdt s TRP 42 N -3.17 0.34 0.02 -0.53 1.48 -1.26 -4.43 118.94 111.39 1sdt s TRP 42 Ca 0.55 -0.75 -0.01 0.00 -1.06 0.00 0.00 56.10 54.82 1sdt s TRP 42 Cb -0.11 -0.13 -0.02 0.00 -1.16 0.00 0.00 33.47 32.05 1sdt s TRP 42 CO 0.54 -0.59 0.00 -1.59 -4.06 0.00 0.00 176.95 171.25 1sdt s LYS 43 N -3.92 0.36 0.56 3.25 -2.85 -0.91 -4.92 119.74 111.31 1sdt s LYS 43 Ca 0.11 -0.62 -0.17 0.00 -1.00 0.00 0.00 55.97 54.30 1sdt s LYS 43 Cb 0.05 0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 1sdt s LYS 43 CO -0.06 -0.07 1.04 -1.25 0.10 0.00 0.00 175.35 175.12 1sdt s PRO 44 N -1.63 3.49 -0.02 1.78 0.04 -1.26 -0.61 135.00 136.80 1sdt s PRO 44 Ca -0.14 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 61.97 1sdt s PRO 44 Cb -0.08 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1sdt s PRO 44 CO -0.01 -0.67 0.26 0.21 0.04 0.00 0.00 177.00 176.83 1sdt s LYS 45 N -3.94 0.58 -0.16 4.56 2.20 -0.52 -4.86 119.74 117.60 1sdt s LYS 45 Ca 0.63 -0.17 -0.05 0.00 -0.36 0.00 0.00 55.97 56.02 1sdt s LYS 45 Cb -0.15 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1sdt s LYS 45 CO 0.33 -0.15 -0.00 -1.64 -0.36 0.00 0.00 175.35 173.53 1sdt s MET 46 N -1.16 3.73 0.04 4.03 -1.94 -1.26 -0.86 119.30 121.88 1sdt s MET 46 Ca -0.12 -0.45 0.07 0.00 -1.71 0.00 0.00 55.69 53.47 1sdt s MET 46 Cb -0.05 -3.00 -0.02 0.00 2.01 0.00 0.00 34.83 33.76 1sdt s MET 46 CO 0.03 0.28 -0.19 0.96 -0.01 0.00 0.00 175.02 176.10 1sdt s ILE 47 N 0.28 1.50 -0.16 2.53 -4.36 -0.56 -4.95 121.20 115.47 1sdt s ILE 47 Ca -0.01 -1.14 -0.03 0.00 -0.26 0.00 0.00 60.65 59.21 1sdt s ILE 47 Cb -0.13 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.24 1sdt s ILE 47 CO 0.02 0.14 -0.05 -0.83 0.24 0.00 0.00 174.94 174.46 1sdt s GLY 48 N -1.18 1.68 0.45 6.27 0.00 -1.26 -0.71 107.32 112.57 1sdt s GLY 48 Ca 0.06 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 43.94 1sdt s GLY 48 CO 0.02 -0.00 0.40 0.61 0.00 0.00 0.00 173.10 174.12 1sdt n GLY 49 N 3.74 2.64 0.27 0.20 0.00 0.39 -4.97 105.19 107.47 1sdt n GLY 49 Ca -0.18 -2.26 0.11 0.00 0.00 0.00 0.00 46.02 43.69 1sdt n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1sdt h ILE 50 N 0.53 0.78 -0.22 -0.61 3.07 -2.04 -3.04 117.51 115.99 1sdt h ILE 50 Ca -0.27 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1sdt h ILE 50 Cb 1.04 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 1sdt h ILE 50 CO 0.42 0.05 0.00 0.61 -1.05 0.00 0.00 178.15 178.18 1sdt n GLY 51 N -1.25 1.33 0.00 0.16 0.00 -1.26 -5.07 105.19 99.10 1sdt n GLY 51 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1sdt n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sdt n GLY 52 N 1.37 0.79 3.83 -0.02 0.00 -1.15 -5.11 105.19 104.89 1sdt n GLY 52 Ca 0.16 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 1sdt n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sdt s PHE 53 N -1.70 3.36 0.13 1.61 0.40 -1.26 -0.46 117.98 120.06 1sdt s PHE 53 Ca 0.00 0.23 0.08 0.00 -0.60 0.00 0.00 56.93 56.64 1sdt s PHE 53 Cb 0.00 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1sdt s PHE 53 CO 0.00 0.58 -0.19 0.96 0.70 0.00 0.00 175.22 177.27 1sdt s ILE 54 N -1.29 1.69 -0.11 0.64 -4.36 0.11 -4.95 121.20 112.93 1sdt s ILE 54 Ca 0.26 -1.72 -0.19 0.00 -0.26 0.00 0.00 60.65 58.74 1sdt s ILE 54 Cb -0.12 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 1sdt s ILE 54 CO 0.18 -0.23 0.52 -0.75 0.24 0.00 0.00 174.94 174.90 1sdt s LYS 55 N -2.39 4.36 0.24 0.37 2.20 -1.26 -1.50 119.74 121.76 1sdt s LYS 55 Ca 0.11 0.53 0.04 0.00 -0.36 0.00 0.00 55.97 56.29 1sdt s LYS 55 Cb -0.07 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1sdt s LYS 55 CO 0.05 0.14 -0.00 0.14 -0.36 0.00 0.00 175.35 175.32 1sdt s VAL 56 N 0.65 1.08 -0.19 4.02 -7.23 -0.04 -4.48 120.40 114.20 1sdt s VAL 56 Ca 0.28 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 1sdt s VAL 56 Cb -0.16 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 1sdt s VAL 56 CO 0.12 -0.30 0.12 -0.13 -0.31 0.00 0.00 175.10 174.60 1sdt s ARG 57 N -3.86 4.11 -0.30 4.82 0.52 -0.14 -1.45 118.95 122.65 1sdt s ARG 57 Ca 0.29 -0.23 -0.11 0.00 -0.52 0.00 0.00 55.73 55.16 1sdt s ARG 57 Cb 0.06 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 1sdt s ARG 57 CO 0.09 0.33 0.20 -1.14 0.02 0.00 0.00 175.30 174.81 1sdt s GLN 58 N 0.25 3.73 -0.11 3.54 0.74 0.22 -0.82 119.66 127.22 1sdt s GLN 58 Ca 0.08 -0.47 -0.00 0.00 0.05 0.00 0.00 55.36 55.02 1sdt s GLN 58 Cb -0.11 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 1sdt s GLN 58 CO -0.01 -0.29 -0.10 0.71 -0.55 0.00 0.00 175.29 175.05 1sdt s TYR 59 N 1.73 2.86 0.26 1.67 1.51 -0.51 -2.15 117.35 122.71 1sdt s TYR 59 Ca 0.06 -0.37 0.07 0.00 -1.01 0.00 0.00 57.07 55.82 1sdt s TYR 59 Cb -0.16 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 1sdt s TYR 59 CO 0.10 -0.01 0.22 -0.51 -1.11 0.00 0.00 175.55 174.24 1sdt s ASP 60 N -0.04 5.58 -1.28 2.29 -0.00 -1.26 -1.06 116.67 120.91 1sdt s ASP 60 Ca -0.02 -0.24 -0.03 0.00 -0.00 0.00 0.00 52.55 52.27 1sdt s ASP 60 Cb -0.14 -1.42 0.01 0.00 -0.00 0.00 0.00 42.92 41.37 1sdt s ASP 60 CO 0.03 -0.06 0.95 0.00 -0.00 0.00 0.00 175.17 176.10 1sdt n GLN 61 N -1.21 -6.33 -3.76 8.23 6.02 -1.17 -4.92 117.38 114.24 1sdt n GLN 61 Ca -0.08 0.77 -0.35 0.00 -0.01 0.00 0.00 57.00 57.33 1sdt n GLN 61 Cb 0.58 -5.66 -0.08 0.00 1.02 0.00 0.00 30.24 26.10 1sdt n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sdt s ILE 62 N -3.43 5.39 0.06 5.09 -1.09 0.05 -4.80 121.20 122.47 1sdt s ILE 62 Ca 0.15 0.18 -0.23 0.00 -2.23 0.00 0.00 60.65 58.52 1sdt s ILE 62 Cb -0.07 -3.44 -0.06 0.00 -1.58 0.00 0.00 42.46 37.31 1sdt s ILE 62 CO 0.76 0.46 0.70 -0.63 -1.23 0.00 0.00 174.94 175.00 1sdt s ILE 63 N 0.19 4.72 0.02 2.92 1.01 -1.26 -1.29 121.20 127.51 1sdt s ILE 63 Ca 0.09 1.49 0.02 0.00 0.00 0.00 0.00 60.65 62.24 1sdt s ILE 63 Cb -0.11 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1sdt s ILE 63 CO -0.01 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.66 1sdt s ILE 64 N -0.41 0.47 -0.20 2.92 1.01 -0.32 -4.52 121.20 120.15 1sdt s ILE 64 Ca 0.35 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1sdt s ILE 64 Cb -0.20 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 1sdt s ILE 64 CO 0.21 -0.12 -0.07 -0.70 0.00 0.00 0.00 174.94 174.27 1sdt s GLU 65 N -0.82 3.36 -0.29 2.79 2.12 -0.52 -0.95 118.70 124.39 1sdt s GLU 65 Ca -0.04 -0.64 -0.00 0.00 0.36 0.00 0.00 54.97 54.65 1sdt s GLU 65 Cb -0.06 -2.92 0.06 0.00 0.26 0.00 0.00 34.13 31.47 1sdt s GLU 65 CO 0.00 -0.12 -0.03 0.42 -0.54 0.00 0.00 175.26 174.99 1sdt s ILE 66 N 1.25 2.70 -1.70 -3.70 1.01 0.06 -0.75 121.20 120.07 1sdt s ILE 66 Ca 0.03 -1.52 -0.18 0.00 0.00 0.00 0.00 60.65 58.98 1sdt s ILE 66 Cb -0.14 -2.58 0.16 0.00 0.01 0.00 0.00 42.46 39.90 1sdt s ILE 66 CO -0.03 -0.11 0.80 0.00 0.00 0.00 0.00 174.94 175.61 1sdt n ALA 67 N 4.55 -1.26 -0.06 9.38 0.00 -0.21 -0.80 120.51 132.12 1sdt n ALA 67 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1sdt n ALA 67 Cb 0.43 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.32 1sdt n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdt n GLY 68 N -1.41 1.07 3.53 0.00 0.00 -1.26 -5.04 105.19 102.08 1sdt n GLY 68 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1sdt n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sdt s HIS 69 N -2.44 3.12 0.21 1.61 4.02 0.02 -5.08 115.29 116.76 1sdt s HIS 69 Ca 0.00 -0.20 -0.21 0.00 1.02 0.00 0.00 55.06 55.67 1sdt s HIS 69 Cb 0.00 -2.08 -0.08 0.00 -1.02 0.00 0.00 32.58 29.40 1sdt s HIS 69 CO 0.00 -0.06 0.73 0.21 1.02 0.00 0.00 174.74 176.64 1sdt s LYS 70 N 0.71 4.30 0.11 1.40 2.20 -1.26 -0.76 119.74 126.44 1sdt s LYS 70 Ca 0.01 0.91 -0.12 0.00 -0.36 0.00 0.00 55.97 56.42 1sdt s LYS 70 Cb -0.14 -2.95 0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1sdt s LYS 70 CO 0.02 0.43 0.28 0.00 -0.36 0.00 0.00 175.35 175.72 1sdt s ALA 71 N -1.45 -0.49 0.02 3.13 0.00 -0.12 -4.75 121.76 118.09 1sdt s ALA 71 Ca 0.41 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1sdt s ALA 71 Cb -0.18 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 1sdt s ALA 71 CO 0.22 -0.58 -0.15 -1.50 0.00 0.00 0.00 175.76 173.75 1sdt s ILE 72 N -3.85 1.16 -0.78 0.00 2.07 -1.26 -1.17 121.20 117.37 1sdt s ILE 72 Ca 0.05 -0.88 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 1sdt s ILE 72 Cb 0.03 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.61 1sdt s ILE 72 CO -0.11 0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1sdt n GLY 73 N 2.19 -1.22 3.73 1.50 0.00 -0.41 -4.91 105.19 106.06 1sdt n GLY 73 Ca -0.17 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1sdt n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sdt s THR 74 N -3.00 4.28 -0.08 2.61 2.01 -1.26 -0.77 115.64 119.43 1sdt s THR 74 Ca 0.00 1.91 0.03 0.00 0.31 0.00 0.00 61.69 63.94 1sdt s THR 74 Cb 0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1sdt s THR 74 CO 0.00 0.30 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.36 1sdt s VAL 75 N -0.04 1.59 -0.09 3.82 1.01 -0.22 -4.52 120.40 121.96 1sdt s VAL 75 Ca 0.48 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1sdt s VAL 75 Cb -0.25 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1sdt s VAL 75 CO 0.31 0.46 0.23 -0.76 0.00 0.00 0.00 175.10 175.34 1sdt s LEU 76 N 0.50 4.40 -0.12 3.92 1.43 -0.05 -1.42 118.68 127.34 1sdt s LEU 76 Ca -0.17 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1sdt s LEU 76 Cb -0.17 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.82 1sdt s LEU 76 CO 0.06 0.36 -0.17 -0.69 0.23 0.00 0.00 176.35 176.14 1sdt s VAL 77 N -0.91 1.69 -0.49 -1.59 1.01 0.00 -0.63 120.40 119.48 1sdt s VAL 77 Ca 0.17 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1sdt s VAL 77 Cb -0.13 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1sdt s VAL 77 CO 0.07 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1sdt n GLY 78 N 4.15 -0.94 2.61 4.51 0.00 -0.50 -0.97 105.19 114.06 1sdt n GLY 78 Ca -0.19 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1sdt n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sdt n PRO 79 N 0.00 3.48 -3.36 1.61 -0.04 -1.26 -3.69 135.00 131.74 1sdt n PRO 79 Ca 0.00 -2.81 -0.38 0.00 -0.04 0.00 0.00 63.50 60.27 1sdt n PRO 79 Cb 0.00 -2.99 -0.06 0.00 -0.04 0.00 0.00 33.50 30.41 1sdt n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1sdt s THR 80 N 1.73 4.85 -0.07 0.52 -1.32 -1.26 -4.99 115.64 115.09 1sdt s THR 80 Ca 0.52 1.08 0.31 0.00 -1.21 0.00 0.00 61.69 62.39 1sdt s THR 80 Cb 0.15 -3.83 0.37 0.00 -1.51 0.00 0.00 72.50 67.67 1sdt s THR 80 CO -0.06 0.56 1.89 1.55 -2.21 0.00 0.00 174.62 176.35 1sdt h PRO 81 N 4.60 0.00 -3.66 7.08 0.13 -1.98 -3.44 132.00 134.73 1sdt h PRO 81 Ca -0.50 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 1sdt h PRO 81 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 1sdt h PRO 81 CO 0.63 0.00 -0.57 0.54 -0.23 0.00 0.00 178.00 178.37 1sdt s VAL 82 N -3.54 0.09 0.12 1.56 0.11 -1.26 -5.12 120.40 112.35 1sdt s VAL 82 Ca 0.03 -0.70 -0.30 0.00 -2.93 0.00 0.00 61.98 58.07 1sdt s VAL 82 Cb 0.08 -0.35 -0.06 0.00 -1.53 0.00 0.00 36.38 34.52 1sdt s VAL 82 CO 0.55 -0.39 1.12 0.20 -3.33 0.00 0.00 175.10 173.25 1sdt s ASN 83 N -1.29 7.21 -0.12 3.54 0.01 -1.26 -4.78 114.94 118.25 1sdt s ASN 83 Ca -0.14 2.01 0.02 0.00 -0.71 0.00 0.00 52.86 54.04 1sdt s ASN 83 Cb -0.08 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.01 1sdt s ASN 83 CO 0.01 -0.31 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.49 1sdt s ILE 84 N 0.37 1.59 -0.43 0.60 1.01 0.36 -0.59 121.20 124.10 1sdt s ILE 84 Ca 0.53 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 1sdt s ILE 84 Cb -0.28 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.77 1sdt s ILE 84 CO 0.32 0.46 0.50 -0.63 0.00 0.00 0.00 174.94 175.58 1sdt s ILE 85 N 1.04 5.02 0.50 2.92 -1.09 0.15 -1.15 121.20 128.58 1sdt s ILE 85 Ca -0.05 -0.29 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1sdt s ILE 85 Cb -0.15 -4.10 0.09 0.00 -1.58 0.00 0.00 42.46 36.73 1sdt s ILE 85 CO -0.03 -0.50 0.69 0.61 -1.23 0.00 0.00 174.94 174.48 1sdt n GLY 86 N 5.10 1.25 0.25 6.18 0.00 -1.21 -1.28 105.19 115.48 1sdt n GLY 86 Ca -0.06 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 43.94 1sdt n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sdt h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.94 -0.87 114.38 117.27 1sdt h ARG 87 Ca -0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1sdt h ARG 87 Cb 0.93 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1sdt h ARG 87 CO 0.28 0.05 -0.02 -2.95 -1.07 0.00 0.00 179.97 176.27 1sdt h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.80 -2.03 115.58 117.72 1sdt h ASN 88 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.13 1sdt h ASN 88 Cb 0.10 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.30 1sdt h ASN 88 CO 0.01 0.02 -1.98 0.18 0.07 0.00 0.00 177.43 175.72 1sdt n LEU 89 N -3.97 0.00 -0.32 6.14 4.77 -0.73 -4.45 117.00 118.43 1sdt n LEU 89 Ca -0.03 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 1sdt n LEU 89 Cb 0.10 0.32 0.19 0.00 -2.33 0.00 0.00 43.42 41.70 1sdt n LEU 89 CO 0.29 0.32 1.27 -0.07 -1.33 0.00 0.00 177.39 177.87 1sdt h LEU 90 N 0.00 1.01 -1.14 2.23 3.38 -0.97 -1.72 115.31 118.09 1sdt h LEU 90 Ca -0.35 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1sdt h LEU 90 Cb 1.77 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.24 1sdt h LEU 90 CO 0.02 0.69 0.58 0.71 0.09 0.00 0.00 178.44 180.53 1sdt h THR 91 N 1.17 1.15 0.00 0.22 1.35 -1.59 -1.97 112.91 113.23 1sdt h THR 91 Ca 0.37 -0.38 -0.10 0.00 -0.55 0.00 0.00 66.41 65.75 1sdt h THR 91 Cb 0.01 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.36 1sdt h THR 91 CO -0.11 0.20 -0.48 1.56 -0.25 0.00 0.00 175.52 176.44 1sdt h GLN 92 N 1.11 0.00 -0.08 4.72 1.08 -1.53 -1.85 115.11 118.55 1sdt h GLN 92 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1sdt h GLN 92 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1sdt h GLN 92 CO -0.10 0.48 0.00 0.44 -0.95 0.00 0.00 178.83 178.70 1sdt n ILE 93 N -3.96 0.09 -1.39 2.54 -5.35 -1.09 -4.93 119.36 105.27 1sdt n ILE 93 Ca -0.02 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1sdt n ILE 93 Cb 0.50 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 1sdt n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sdt n GLY 94 N 1.15 0.39 3.74 3.28 0.00 -0.70 -5.01 105.19 108.05 1sdt n GLY 94 Ca 0.18 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1sdt n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdt s ALA 95 N -2.00 3.35 0.11 4.61 0.00 -0.76 -5.04 121.76 122.03 1sdt s ALA 95 Ca 0.00 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.78 1sdt s ALA 95 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1sdt s ALA 95 CO 0.00 -0.18 -0.10 0.95 0.00 0.00 0.00 175.76 176.43 1sdt s THR 96 N -0.19 1.02 -0.22 0.00 -4.23 -1.26 -4.71 115.64 106.05 1sdt s THR 96 Ca 0.49 -1.73 -0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1sdt s THR 96 Cb -0.28 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.03 1sdt s THR 96 CO 0.34 -0.58 0.16 -0.22 -0.54 0.00 0.00 174.62 173.77 1sdt s LEU 97 N -2.59 4.16 -0.06 4.79 2.96 -1.26 -5.09 118.68 121.60 1sdt s LEU 97 Ca 0.08 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1sdt s LEU 97 Cb -0.02 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1sdt s LEU 97 CO 0.00 0.12 -0.13 0.20 -1.32 0.00 0.00 176.35 175.22 1sdt s ASN 98 N 0.72 1.79 0.00 3.68 -0.87 -1.26 -5.30 114.94 113.70 1sdt s ASN 98 Ca 0.08 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.08 1sdt s ASN 98 Cb -0.12 -0.73 0.00 0.00 -0.02 0.00 0.00 41.25 40.37 1sdt s ASN 98 CO 0.02 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.83