#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohr s GLN 2 N 0.00 2.71 -0.22 0.54 0.74 -1.26 -5.10 119.66 117.06 1ohr s GLN 2 Ca 0.00 -1.05 -0.06 0.00 0.05 0.00 0.00 55.36 54.30 1ohr s GLN 2 Cb 0.00 -2.90 -0.03 0.00 1.10 0.00 0.00 33.01 31.19 1ohr s GLN 2 CO 0.00 -0.42 0.03 0.42 -0.55 0.00 0.00 175.29 174.78 1ohr s ILE 3 N 1.26 4.19 0.70 -2.34 1.01 -1.26 -5.10 121.20 119.65 1ohr s ILE 3 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1ohr s ILE 3 Cb -0.17 -2.92 0.07 0.00 0.01 0.00 0.00 42.46 39.45 1ohr s ILE 3 CO -0.06 0.40 1.00 0.42 0.00 0.00 0.00 174.94 176.70 1ohr s THR 4 N 1.18 2.30 -0.18 2.92 -4.23 -1.26 -5.03 115.64 111.33 1ohr s THR 4 Ca 0.04 -0.31 0.16 0.00 -1.18 0.00 0.00 61.69 60.40 1ohr s THR 4 Cb -0.14 -2.98 0.49 0.00 1.34 0.00 0.00 72.50 71.21 1ohr s THR 4 CO 0.02 0.00 1.39 0.18 -0.54 0.00 0.00 174.62 175.67 1ohr n LEU 5 N -2.89 3.68 0.26 4.79 4.77 -1.26 -4.50 117.00 121.86 1ohr n LEU 5 Ca 0.08 -3.10 0.13 0.00 -0.03 0.00 0.00 56.01 53.09 1ohr n LEU 5 Cb 0.60 -0.54 0.73 0.00 -2.33 0.00 0.00 43.42 41.89 1ohr n LEU 5 CO 0.51 0.73 0.98 -0.50 -1.33 0.00 0.00 177.39 177.79 1ohr h TRP 6 N 1.45 0.00 -2.00 -1.77 4.06 -2.06 -3.42 115.95 112.21 1ohr h TRP 6 Ca 0.02 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.36 1ohr h TRP 6 Cb 1.40 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.43 1ohr h TRP 6 CO 0.47 0.11 -0.69 -0.65 -3.56 0.00 0.00 178.44 174.13 1ohr s GLN 7 N -4.22 1.79 0.32 0.49 1.11 -1.26 -5.09 119.66 112.80 1ohr s GLN 7 Ca -0.03 -1.92 -0.29 0.00 0.01 0.00 0.00 55.36 53.14 1ohr s GLN 7 Cb 0.13 -1.67 -0.12 0.00 -1.01 0.00 0.00 33.01 30.34 1ohr s GLN 7 CO 0.58 0.15 1.44 0.54 0.01 0.00 0.00 175.29 178.01 1ohr n ARG 8 N -0.77 2.41 -1.75 2.91 1.74 -1.26 -4.84 116.66 115.10 1ohr n ARG 8 Ca -0.05 0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 1ohr n ARG 8 Cb 0.63 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.46 29.52 1ohr n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ohr n PRO 9 N 1.13 2.52 -3.27 5.56 -0.04 -1.26 -4.94 135.00 134.70 1ohr n PRO 9 Ca 0.06 -2.53 -0.34 0.00 -0.04 0.00 0.00 63.50 60.65 1ohr n PRO 9 Cb 0.36 -3.26 -0.06 0.00 -0.04 0.00 0.00 33.50 30.50 1ohr n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ohr s LEU 10 N 2.81 4.21 0.14 1.53 1.43 -1.26 -1.00 118.68 126.53 1ohr s LEU 10 Ca 0.52 1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 54.68 1ohr s LEU 10 Cb 0.12 -3.67 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 1ohr s LEU 10 CO -0.00 -0.05 0.24 0.68 0.23 0.00 0.00 176.35 177.45 1ohr s VAL 11 N -1.72 0.09 0.06 -1.59 -7.23 0.77 -4.91 120.40 105.86 1ohr s VAL 11 Ca 0.46 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 59.07 1ohr s VAL 11 Cb -0.13 -1.70 -0.06 0.00 0.56 0.00 0.00 36.38 35.05 1ohr s VAL 11 CO 0.20 -0.41 0.62 -0.89 -0.31 0.00 0.00 175.10 174.31 1ohr s THR 12 N -3.94 4.74 0.22 5.32 2.01 -1.26 0.16 115.64 122.89 1ohr s THR 12 Ca 0.14 1.33 0.06 0.00 0.31 0.00 0.00 61.69 63.53 1ohr s THR 12 Cb 0.04 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 1ohr s THR 12 CO -0.03 0.49 -0.07 0.27 -0.69 0.00 0.00 174.62 174.59 1ohr s ILE 13 N -0.74 1.41 -0.09 1.82 -4.36 0.78 -3.06 121.20 116.96 1ohr s ILE 13 Ca 0.31 -2.11 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 1ohr s ILE 13 Cb -0.20 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.33 1ohr s ILE 13 CO 0.20 -0.47 -0.12 -0.75 0.24 0.00 0.00 174.94 174.04 1ohr s LYS 14 N -3.75 1.79 -0.16 0.37 2.20 -0.28 -1.38 119.74 118.53 1ohr s LYS 14 Ca 0.25 -0.42 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 1ohr s LYS 14 Cb 0.03 -1.56 0.05 0.00 -1.51 0.00 0.00 37.83 34.84 1ohr s LYS 14 CO 0.08 -0.06 0.40 -1.50 -0.36 0.00 0.00 175.35 173.91 1ohr s ILE 15 N 0.96 -0.02 -1.76 5.43 2.07 0.06 -1.69 121.20 126.25 1ohr s ILE 15 Ca -0.09 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 1ohr s ILE 15 Cb -0.15 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.86 1ohr s ILE 15 CO 0.00 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 1ohr n GLY 16 N 3.77 -0.20 2.73 1.50 0.00 -1.26 -0.76 105.19 110.96 1ohr n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ohr n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohr n GLY 17 N -0.91 0.88 3.59 -0.02 0.00 -1.26 -5.03 105.19 102.43 1ohr n GLY 17 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1ohr n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ohr s GLN 18 N -0.01 2.31 0.03 1.61 -0.21 0.06 -5.10 119.66 118.34 1ohr s GLN 18 Ca 0.00 -0.91 -0.17 0.00 0.02 0.00 0.00 55.36 54.31 1ohr s GLN 18 Cb 0.00 -2.39 -0.06 0.00 1.00 0.00 0.00 33.01 31.56 1ohr s GLN 18 CO 0.00 0.54 0.47 -0.51 -2.12 0.00 0.00 175.29 173.68 1ohr s LEU 19 N -1.92 4.49 0.10 2.90 1.43 -1.26 -0.76 118.68 123.66 1ohr s LEU 19 Ca 0.20 1.08 -0.08 0.00 -1.03 0.00 0.00 54.13 54.30 1ohr s LEU 19 Cb -0.11 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.39 1ohr s LEU 19 CO 0.12 0.30 0.19 -0.54 0.23 0.00 0.00 176.35 176.64 1ohr s LYS 20 N -1.06 0.87 -0.10 1.70 1.02 -0.48 -4.96 119.74 116.73 1ohr s LYS 20 Ca 0.26 -1.00 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 1ohr s LYS 20 Cb -0.18 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1ohr s LYS 20 CO 0.16 -0.28 0.12 -2.00 -0.92 0.00 0.00 175.35 172.43 1ohr s GLU 21 N -3.88 3.36 0.02 1.68 2.12 -1.26 -0.16 118.70 120.58 1ohr s GLU 21 Ca 0.07 -0.19 -0.11 0.00 0.36 0.00 0.00 54.97 55.09 1ohr s GLU 21 Cb 0.05 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.34 1ohr s GLU 21 CO -0.09 0.76 0.23 0.00 -0.54 0.00 0.00 175.26 175.62 1ohr s ALA 22 N -1.03 -0.52 -0.14 6.30 0.00 0.12 -4.48 121.76 122.01 1ohr s ALA 22 Ca 0.16 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 1ohr s ALA 22 Cb -0.12 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1ohr s ALA 22 CO 0.05 -0.31 0.54 -1.17 0.00 0.00 0.00 175.76 174.87 1ohr s LEU 23 N -1.72 4.23 -0.25 0.00 2.96 0.24 -0.17 118.68 123.97 1ohr s LEU 23 Ca -0.10 0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 54.36 1ohr s LEU 23 Cb -0.04 -2.78 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 1ohr s LEU 23 CO -0.00 -0.09 1.25 -0.76 -1.32 0.00 0.00 176.35 175.43 1ohr s LEU 24 N 1.05 3.99 -0.32 -0.68 1.43 -0.17 -0.65 118.68 123.33 1ohr s LEU 24 Ca 0.27 1.36 0.01 0.00 -1.03 0.00 0.00 54.13 54.75 1ohr s LEU 24 Cb -0.16 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.62 1ohr s LEU 24 CO 0.11 -0.94 0.08 -0.62 0.23 0.00 0.00 176.35 175.21 1ohr s ASP 25 N 2.33 4.36 0.36 2.29 2.15 -0.27 -4.81 116.67 123.08 1ohr s ASP 25 Ca 0.54 -1.86 0.27 0.00 0.43 0.00 0.00 52.55 51.93 1ohr s ASP 25 Cb -0.18 -1.21 1.20 0.00 -0.30 0.00 0.00 42.92 42.44 1ohr s ASP 25 CO 0.19 -0.40 1.81 0.71 -0.17 0.00 0.00 175.17 177.31 1ohr h THR 26 N 6.55 0.00 0.00 1.71 1.35 -1.94 -2.28 112.91 118.29 1ohr h THR 26 Ca -0.09 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1ohr h THR 26 Cb 1.02 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1ohr h THR 26 CO 0.49 0.00 -0.25 0.61 -0.25 0.00 0.00 175.52 176.12 1ohr n GLY 27 N -0.27 -1.47 3.75 5.82 0.00 -1.26 -4.82 105.19 106.93 1ohr n GLY 27 Ca 0.01 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1ohr n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ohr s ALA 28 N -3.06 3.66 0.14 4.61 0.00 -0.86 -4.96 121.76 121.30 1ohr s ALA 28 Ca 0.11 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1ohr s ALA 28 Cb 0.16 -2.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.93 1ohr s ALA 28 CO 0.63 0.19 1.32 -0.44 0.00 0.00 0.00 175.76 177.46 1ohr h ASP 29 N 6.37 0.33 -1.72 0.00 3.32 -1.88 0.12 116.42 122.96 1ohr h ASP 29 Ca -0.43 -0.28 -0.55 0.00 0.02 0.00 0.00 57.03 55.79 1ohr h ASP 29 Cb 1.17 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.54 1ohr h ASP 29 CO 0.73 1.11 -0.51 -1.81 -1.72 0.00 0.00 179.24 177.04 1ohr s ASP 30 N -6.98 4.58 -0.25 6.45 1.01 -1.26 -2.63 116.67 117.58 1ohr s ASP 30 Ca -0.03 -0.91 -0.08 0.00 0.71 0.00 0.00 52.55 52.23 1ohr s ASP 30 Cb 0.09 -0.59 -0.03 0.00 1.01 0.00 0.00 42.92 43.40 1ohr s ASP 30 CO 0.84 -0.43 0.09 -0.89 0.21 0.00 0.00 175.17 174.99 1ohr s THR 31 N -2.51 4.59 -0.12 -1.27 2.01 -1.26 -2.71 115.64 114.37 1ohr s THR 31 Ca 0.40 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1ohr s THR 31 Cb 0.00 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.39 1ohr s THR 31 CO 0.23 0.34 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.70 1ohr s VAL 32 N 1.46 1.27 0.26 3.82 1.01 -0.67 -0.42 120.40 127.14 1ohr s VAL 32 Ca 0.06 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1ohr s VAL 32 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1ohr s VAL 32 CO 0.05 0.41 -0.05 -0.76 0.00 0.00 0.00 175.10 174.75 1ohr s LEU 33 N 1.47 3.07 0.98 3.92 1.43 0.15 -0.51 118.68 129.18 1ohr s LEU 33 Ca 0.02 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.29 1ohr s LEU 33 Cb -0.13 -1.60 0.14 0.00 0.03 0.00 0.00 46.19 44.63 1ohr s LEU 33 CO -0.07 0.02 0.87 -0.62 0.23 0.00 0.00 176.35 176.77 1ohr n GLU 34 N -0.78 -0.76 -1.70 1.70 4.71 -1.25 -0.83 120.64 121.72 1ohr n GLU 34 Ca -0.06 -0.17 -0.43 0.00 -0.01 0.00 0.00 57.16 56.48 1ohr n GLU 34 Cb 0.59 -2.17 -0.03 0.00 -1.01 0.00 0.00 31.44 28.81 1ohr n GLU 34 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1ohr n GLU 35 N -3.55 2.66 -3.49 3.49 4.07 -1.16 -4.42 120.64 118.23 1ohr n GLU 35 Ca 0.09 0.96 -0.11 0.00 -0.06 0.00 0.00 57.16 58.04 1ohr n GLU 35 Cb 0.53 -2.81 -0.03 0.00 -0.06 0.00 0.00 31.44 29.07 1ohr n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ohr s MET 36 N 1.69 0.95 -0.25 5.31 0.00 -1.26 -5.02 119.30 120.71 1ohr s MET 36 Ca 0.78 -0.22 -0.15 0.00 0.00 0.00 0.00 55.69 56.11 1ohr s MET 36 Cb -0.53 0.44 -0.04 0.00 0.00 0.00 0.00 34.83 34.70 1ohr s MET 36 CO 0.35 -0.39 0.35 -1.54 0.00 0.00 0.00 175.02 173.80 1ohr s SER 37 N -2.21 6.27 0.13 -1.18 1.04 -1.26 -5.03 113.70 111.46 1ohr s SER 37 Ca 0.01 0.31 0.09 0.00 0.48 0.00 0.00 55.95 56.84 1ohr s SER 37 Cb -0.01 -2.20 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 1ohr s SER 37 CO -0.06 -0.14 -0.17 -0.76 0.98 0.00 0.00 173.24 173.09 1ohr s LEU 38 N 1.82 2.72 0.92 2.42 1.43 -1.26 -5.04 118.68 121.68 1ohr s LEU 38 Ca 0.15 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1ohr s LEU 38 Cb -0.15 -1.54 0.14 0.00 0.03 0.00 0.00 46.19 44.67 1ohr s LEU 38 CO 0.09 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.78 1ohr s PRO 39 N -2.23 1.03 0.00 1.29 0.04 -1.26 -4.93 135.00 128.95 1ohr s PRO 39 Ca 0.19 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1ohr s PRO 39 Cb -0.10 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1ohr s PRO 39 CO 0.11 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 175.05 1ohr n GLY 40 N -0.29 2.20 3.81 0.56 0.00 -1.26 -4.98 105.19 105.22 1ohr n GLY 40 Ca 0.09 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 1ohr n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ohr s ARG 41 N -3.48 3.61 0.25 1.61 1.81 -1.26 -5.07 118.95 116.42 1ohr s ARG 41 Ca 0.00 1.20 0.03 0.00 -1.72 0.00 0.00 55.73 55.24 1ohr s ARG 41 Cb 0.00 -2.08 -0.05 0.00 -0.45 0.00 0.00 34.95 32.37 1ohr s ARG 41 CO 0.00 -0.57 0.02 1.67 -0.68 0.00 0.00 175.30 175.74 1ohr s TRP 42 N -2.35 1.62 -0.03 -0.53 1.48 -1.26 -4.70 118.94 113.18 1ohr s TRP 42 Ca 0.64 -0.96 0.07 0.00 -1.06 0.00 0.00 56.10 54.78 1ohr s TRP 42 Cb -0.15 -0.96 -0.02 0.00 -1.16 0.00 0.00 33.47 31.19 1ohr s TRP 42 CO 0.30 -0.07 -0.24 0.15 -4.06 0.00 0.00 176.95 173.03 1ohr s LYS 43 N -3.89 2.05 0.62 3.25 -0.14 -0.61 -4.88 119.74 116.14 1ohr s LYS 43 Ca 0.31 -0.86 -0.18 0.00 -1.36 0.00 0.00 55.97 53.88 1ohr s LYS 43 Cb 0.06 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.27 1ohr s LYS 43 CO 0.10 0.48 1.20 -2.14 -0.76 0.00 0.00 175.35 174.24 1ohr s PRO 44 N -0.46 2.84 0.18 -1.68 0.02 -1.26 0.09 135.00 134.72 1ohr s PRO 44 Ca 0.06 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 62.71 1ohr s PRO 44 Cb -0.10 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.53 1ohr s PRO 44 CO 0.00 -1.30 0.49 0.15 -0.33 0.00 0.00 177.00 176.01 1ohr s LYS 45 N -3.47 1.31 -0.04 5.54 1.02 0.12 -4.80 119.74 119.43 1ohr s LYS 45 Ca 0.76 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.94 1ohr s LYS 45 Cb -0.30 0.50 -0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1ohr s LYS 45 CO 0.35 -0.55 -0.16 1.41 -0.92 0.00 0.00 175.35 175.49 1ohr s MET 46 N -3.87 1.68 0.06 1.68 1.75 -1.26 -0.66 119.30 118.69 1ohr s MET 46 Ca 0.09 -0.55 0.03 0.00 -1.25 0.00 0.00 55.69 54.01 1ohr s MET 46 Cb -0.00 -1.46 -0.03 0.00 2.84 0.00 0.00 34.83 36.18 1ohr s MET 46 CO -0.04 0.20 -0.09 0.96 -0.65 0.00 0.00 175.02 175.39 1ohr s ILE 47 N 0.14 0.73 0.23 10.11 -4.36 -0.39 -4.95 121.20 122.71 1ohr s ILE 47 Ca -0.05 -1.34 0.06 0.00 -0.26 0.00 0.00 60.65 59.06 1ohr s ILE 47 Cb -0.12 -0.97 -0.05 0.00 1.25 0.00 0.00 42.46 42.57 1ohr s ILE 47 CO 0.02 -0.46 -0.07 -0.83 0.24 0.00 0.00 174.94 173.84 1ohr s GLY 48 N -1.97 1.57 0.00 6.27 0.00 -1.26 -0.66 107.32 111.27 1ohr s GLY 48 Ca -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1ohr s GLY 48 CO -0.00 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 171.96 1ohr n GLY 49 N -0.45 3.02 3.73 0.20 0.00 -0.41 -4.97 105.19 106.33 1ohr n GLY 49 Ca -0.07 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1ohr n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ohr n ILE 50 N 0.00 4.01 0.00 -0.61 2.08 -1.26 -1.96 119.36 121.62 1ohr n ILE 50 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1ohr n ILE 50 Cb 0.00 -1.60 0.00 0.00 -0.75 0.00 0.00 39.64 37.29 1ohr n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ohr n GLY 51 N 0.82 2.77 0.00 7.39 0.00 -1.26 -4.91 105.19 110.00 1ohr n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ohr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohr n GLY 52 N -0.15 0.83 3.89 -0.02 0.00 -0.83 -5.10 105.19 103.82 1ohr n GLY 52 Ca 0.00 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1ohr n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ohr s PHE 53 N -1.86 3.50 0.09 1.61 0.40 -1.26 -1.28 117.98 119.18 1ohr s PHE 53 Ca 0.00 0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.67 1ohr s PHE 53 Cb 0.00 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1ohr s PHE 53 CO 0.00 0.62 -0.11 0.96 0.70 0.00 0.00 175.22 177.38 1ohr s ILE 54 N -1.38 0.99 -0.01 0.64 -4.36 0.17 -4.94 121.20 112.30 1ohr s ILE 54 Ca 0.29 -1.54 -0.21 0.00 -0.26 0.00 0.00 60.65 58.93 1ohr s ILE 54 Cb -0.13 -1.26 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 1ohr s ILE 54 CO 0.21 -0.47 0.61 -0.75 0.24 0.00 0.00 174.94 174.78 1ohr s LYS 55 N -2.48 4.34 0.14 0.37 2.36 -1.26 -1.26 119.74 121.94 1ohr s LYS 55 Ca 0.03 0.75 0.00 0.00 -2.55 0.00 0.00 55.97 54.20 1ohr s LYS 55 Cb -0.05 -3.36 -0.04 0.00 -1.05 0.00 0.00 37.83 33.33 1ohr s LYS 55 CO 0.01 0.32 0.03 0.14 1.55 0.00 0.00 175.35 177.40 1ohr s VAL 56 N -0.05 0.33 -0.23 4.02 -7.23 0.17 -4.38 120.40 113.03 1ohr s VAL 56 Ca 0.32 -1.93 -0.09 0.00 -1.81 0.00 0.00 61.98 58.46 1ohr s VAL 56 Cb -0.18 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1ohr s VAL 56 CO 0.17 -0.49 0.13 -0.13 -0.31 0.00 0.00 175.10 174.47 1ohr s ARG 57 N -3.99 4.00 -0.28 4.82 0.52 0.41 -0.70 118.95 123.72 1ohr s ARG 57 Ca 0.23 -0.31 -0.16 0.00 -0.52 0.00 0.00 55.73 54.97 1ohr s ARG 57 Cb 0.07 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 1ohr s ARG 57 CO 0.02 0.07 0.43 -1.14 0.02 0.00 0.00 175.30 174.71 1ohr s GLN 58 N 0.99 3.95 -0.14 3.54 0.74 0.11 -0.33 119.66 128.51 1ohr s GLN 58 Ca 0.06 0.06 -0.02 0.00 0.05 0.00 0.00 55.36 55.52 1ohr s GLN 58 Cb -0.13 -3.69 -0.02 0.00 1.10 0.00 0.00 33.01 30.27 1ohr s GLN 58 CO 0.04 -0.36 -0.09 0.71 -0.55 0.00 0.00 175.29 175.03 1ohr s TYR 59 N 2.18 2.91 0.21 1.67 1.51 0.42 -1.57 117.35 124.69 1ohr s TYR 59 Ca 0.17 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1ohr s TYR 59 Cb -0.16 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1ohr s TYR 59 CO 0.10 -0.15 0.33 -0.51 -1.11 0.00 0.00 175.55 174.21 1ohr s ASP 60 N 0.41 6.26 -1.54 2.29 1.01 -1.26 -0.73 116.67 123.11 1ohr s ASP 60 Ca -0.07 0.07 -0.09 0.00 0.71 0.00 0.00 52.55 53.17 1ohr s ASP 60 Cb -0.15 -1.84 0.07 0.00 1.01 0.00 0.00 42.92 42.02 1ohr s ASP 60 CO 0.04 -0.03 0.66 0.00 0.21 0.00 0.00 175.17 176.05 1ohr n GLN 61 N -1.15 -3.69 -3.26 8.23 1.13 -1.12 -4.89 117.38 112.63 1ohr n GLN 61 Ca -0.08 0.43 -0.39 0.00 -1.94 0.00 0.00 57.00 55.02 1ohr n GLN 61 Cb 0.56 -4.93 -0.06 0.00 0.11 0.00 0.00 30.24 25.92 1ohr n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ohr s ILE 62 N -3.59 4.89 -0.07 5.09 -1.09 0.24 -4.71 121.20 121.96 1ohr s ILE 62 Ca 0.39 1.18 -0.27 0.00 -2.23 0.00 0.00 60.65 59.73 1ohr s ILE 62 Cb -0.21 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1ohr s ILE 62 CO 0.89 0.46 0.85 -0.22 -1.23 0.00 0.00 174.94 175.70 1ohr s LEU 63 N -0.46 4.29 -0.02 2.97 2.96 -1.26 -1.27 118.68 125.88 1ohr s LEU 63 Ca 0.29 1.37 -0.02 0.00 -0.22 0.00 0.00 54.13 55.55 1ohr s LEU 63 Cb -0.18 -3.32 0.01 0.00 0.50 0.00 0.00 46.19 43.19 1ohr s LEU 63 CO 0.17 -0.26 0.06 -0.51 -1.32 0.00 0.00 176.35 174.49 1ohr s ILE 64 N 1.30 0.00 -0.21 6.68 2.07 -0.13 -4.54 121.20 126.38 1ohr s ILE 64 Ca 0.43 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.62 1ohr s ILE 64 Cb -0.19 -0.10 -0.02 0.00 0.13 0.00 0.00 42.46 42.28 1ohr s ILE 64 CO 0.20 -0.00 -0.02 -1.61 -1.91 0.00 0.00 174.94 171.60 1ohr s GLU 65 N 0.02 3.53 -0.30 3.50 2.02 -0.68 -0.93 118.70 125.86 1ohr s GLU 65 Ca -0.00 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1ohr s GLU 65 Cb -0.01 -3.05 0.06 0.00 0.10 0.00 0.00 34.13 31.24 1ohr s GLU 65 CO 0.00 -0.06 -0.02 0.42 0.02 0.00 0.00 175.26 175.63 1ohr s ILE 66 N 1.16 2.68 -1.46 -1.63 1.01 -0.11 -1.13 121.20 121.73 1ohr s ILE 66 Ca 0.02 -1.60 -0.09 0.00 0.00 0.00 0.00 60.65 58.99 1ohr s ILE 66 Cb -0.14 -2.61 0.06 0.00 0.01 0.00 0.00 42.46 39.77 1ohr s ILE 66 CO 0.01 -0.17 0.84 0.00 0.00 0.00 0.00 174.94 175.62 1ohr n GLY 68 N -1.67 2.87 3.73 0.00 0.00 -1.26 -5.00 105.19 103.86 1ohr n GLY 68 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1ohr n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ohr s HIS 69 N -2.52 3.68 0.29 1.61 3.76 0.81 -5.00 115.29 117.92 1ohr s HIS 69 Ca 0.00 1.50 -0.22 0.00 -0.15 0.00 0.00 55.06 56.19 1ohr s HIS 69 Cb 0.00 -2.91 -0.09 0.00 1.11 0.00 0.00 32.58 30.69 1ohr s HIS 69 CO 0.00 0.15 0.84 0.15 -0.85 0.00 0.00 174.74 175.03 1ohr s LYS 70 N 0.43 4.38 -0.00 1.40 1.02 -1.26 -0.93 119.74 124.78 1ohr s LYS 70 Ca 0.42 1.07 -0.04 0.00 0.02 0.00 0.00 55.97 57.45 1ohr s LYS 70 Cb -0.20 -2.77 -0.00 0.00 -0.52 0.00 0.00 37.83 34.33 1ohr s LYS 70 CO 0.24 0.30 0.07 0.00 -0.92 0.00 0.00 175.35 175.04 1ohr s ALA 71 N -1.63 -0.15 -0.24 5.17 0.00 -0.10 -4.74 121.76 120.07 1ohr s ALA 71 Ca 0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 1ohr s ALA 71 Cb -0.17 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.09 1ohr s ALA 71 CO 0.21 -0.15 0.08 0.42 0.00 0.00 0.00 175.76 176.33 1ohr s ILE 72 N -1.04 0.30 0.00 0.00 1.01 -1.26 -0.95 121.20 119.26 1ohr s ILE 72 Ca -0.11 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1ohr s ILE 72 Cb -0.07 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1ohr s ILE 72 CO 0.00 -0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.11 1ohr n GLY 73 N 5.11 2.11 3.75 6.18 0.00 -0.40 -4.79 105.19 117.15 1ohr n GLY 73 Ca -0.06 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1ohr n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ohr s THR 74 N -2.97 3.60 -0.05 2.61 2.01 -1.26 -0.59 115.64 118.98 1ohr s THR 74 Ca 0.00 1.44 0.01 0.00 0.31 0.00 0.00 61.69 63.45 1ohr s THR 74 Cb 0.00 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.61 1ohr s THR 74 CO 0.00 0.27 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.45 1ohr s VAL 75 N -0.49 0.68 -0.13 3.82 1.01 0.09 -4.59 120.40 120.80 1ohr s VAL 75 Ca 0.49 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 1ohr s VAL 75 Cb -0.32 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1ohr s VAL 75 CO 0.38 0.26 0.21 -0.76 0.00 0.00 0.00 175.10 175.20 1ohr s LEU 76 N 0.97 4.34 -0.10 3.92 1.43 0.44 -0.43 118.68 129.25 1ohr s LEU 76 Ca -0.10 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1ohr s LEU 76 Cb -0.14 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 1ohr s LEU 76 CO 0.00 0.29 -0.23 -0.69 0.23 0.00 0.00 176.35 175.94 1ohr s VAL 77 N -0.45 2.13 0.00 -1.59 1.01 0.55 -0.68 120.40 121.37 1ohr s VAL 77 Ca 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1ohr s VAL 77 Cb -0.13 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1ohr s VAL 77 CO 0.04 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1ohr n GLY 78 N 3.48 0.60 2.36 4.51 0.00 -0.01 -0.44 105.19 115.69 1ohr n GLY 78 Ca -0.19 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 1ohr n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ohr n PRO 79 N 0.00 3.82 -2.97 1.61 -0.04 -1.26 -2.99 135.00 133.17 1ohr n PRO 79 Ca 0.00 -2.44 -0.38 0.00 -0.04 0.00 0.00 63.50 60.65 1ohr n PRO 79 Cb 0.00 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 30.60 1ohr n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ohr s THR 80 N 1.66 4.39 0.43 0.52 -1.32 -1.26 -4.96 115.64 115.09 1ohr s THR 80 Ca 0.66 1.60 0.14 0.00 -1.21 0.00 0.00 61.69 62.88 1ohr s THR 80 Cb 0.18 -4.02 0.34 0.00 -1.51 0.00 0.00 72.50 67.49 1ohr s THR 80 CO -0.07 0.33 1.95 -0.65 -2.21 0.00 0.00 174.62 173.98 1ohr h PRO 81 N 3.75 0.41 -3.52 7.08 0.11 -1.98 -3.44 132.00 134.40 1ohr h PRO 81 Ca -0.47 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1ohr h PRO 81 Cb 1.20 -0.09 -0.17 0.00 0.11 0.00 0.00 31.00 32.05 1ohr h PRO 81 CO 0.66 0.27 -0.35 0.54 -0.21 0.00 0.00 178.00 178.90 1ohr s VAL 82 N -5.41 0.11 0.03 3.15 0.11 -1.26 -5.08 120.40 112.05 1ohr s VAL 82 Ca -0.08 -0.87 -0.30 0.00 -2.93 0.00 0.00 61.98 57.80 1ohr s VAL 82 Cb 0.20 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1ohr s VAL 82 CO 0.76 -0.48 1.19 0.20 -3.33 0.00 0.00 175.10 173.44 1ohr s ASN 83 N -2.16 7.08 -0.09 3.54 0.01 -1.26 -4.74 114.94 117.32 1ohr s ASN 83 Ca -0.04 1.96 0.04 0.00 -0.71 0.00 0.00 52.86 54.11 1ohr s ASN 83 Cb -0.00 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 1ohr s ASN 83 CO -0.04 -0.49 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.20 1ohr s ILE 84 N 1.34 1.95 -0.33 0.60 1.01 0.33 -0.59 121.20 125.51 1ohr s ILE 84 Ca 0.58 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1ohr s ILE 84 Cb -0.28 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1ohr s ILE 84 CO 0.28 0.54 0.16 -0.63 0.00 0.00 0.00 174.94 175.28 1ohr s ILE 85 N 0.29 4.51 0.54 2.92 -1.09 0.18 -1.66 121.20 126.89 1ohr s ILE 85 Ca -0.16 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1ohr s ILE 85 Cb -0.17 -3.37 0.11 0.00 -1.58 0.00 0.00 42.46 37.44 1ohr s ILE 85 CO 0.07 -0.03 0.74 0.61 -1.23 0.00 0.00 174.94 175.11 1ohr n GLY 86 N 4.97 0.81 0.31 6.18 0.00 -1.10 -1.12 105.19 115.25 1ohr n GLY 86 Ca -0.13 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.00 1ohr n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ohr h ARG 87 N 0.00 0.00 -0.26 1.61 3.08 -1.02 -1.48 114.38 116.32 1ohr h ARG 87 Ca -0.25 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1ohr h ARG 87 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1ohr h ARG 87 CO 0.27 0.00 0.06 -2.95 -1.07 0.00 0.00 179.97 176.29 1ohr h ASN 88 N 0.00 0.33 0.08 7.04 -1.07 -1.77 -2.27 115.58 117.91 1ohr h ASN 88 Ca 0.06 -0.03 -0.29 0.00 0.07 0.00 0.00 56.30 56.10 1ohr h ASN 88 Cb 0.27 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.39 1ohr h ASN 88 CO -0.00 0.34 -2.21 0.18 0.07 0.00 0.00 177.43 175.80 1ohr n LEU 89 N -4.39 0.12 -0.15 6.14 4.77 -0.79 -4.17 117.00 118.53 1ohr n LEU 89 Ca 0.01 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1ohr n LEU 89 Cb 0.16 0.37 0.26 0.00 -2.33 0.00 0.00 43.42 41.88 1ohr n LEU 89 CO 0.36 0.39 1.15 -0.07 -1.33 0.00 0.00 177.39 177.89 1ohr h LEU 90 N 0.00 0.76 -0.83 2.23 3.38 -1.06 -1.15 115.31 118.64 1ohr h LEU 90 Ca -0.42 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 1ohr h LEU 90 Cb 1.99 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.52 1ohr h LEU 90 CO 0.03 0.61 0.07 0.71 0.09 0.00 0.00 178.44 179.95 1ohr h THR 91 N 0.87 1.25 -0.82 0.22 1.35 -1.61 -1.92 112.91 112.25 1ohr h THR 91 Ca 0.22 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 1ohr h THR 91 Cb 0.01 0.74 -0.04 0.00 -1.73 0.00 0.00 68.15 67.13 1ohr h THR 91 CO -0.04 0.37 0.46 1.56 -0.25 0.00 0.00 175.52 177.62 1ohr h GLN 92 N 0.89 1.13 -0.19 4.72 4.20 -1.39 -1.44 115.11 123.03 1ohr h GLN 92 Ca 0.18 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1ohr h GLN 92 Cb 0.43 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1ohr h GLN 92 CO 0.01 0.82 0.00 0.44 -0.67 0.00 0.00 178.83 179.43 1ohr n ILE 93 N -4.35 0.25 -2.30 2.54 -5.35 -0.94 -4.92 119.36 104.29 1ohr n ILE 93 Ca 0.09 -0.28 -0.07 0.00 -0.27 0.00 0.00 62.75 62.23 1ohr n ILE 93 Cb 0.09 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 1ohr n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ohr n GLY 94 N 0.91 0.21 3.75 3.28 0.00 -0.54 -5.02 105.19 107.78 1ohr n GLY 94 Ca 0.10 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 1ohr n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ohr s THR 96 N -0.51 0.91 0.07 0.00 -4.23 -1.26 -4.73 115.64 105.89 1ohr s THR 96 Ca 0.40 -1.95 -0.12 0.00 -1.18 0.00 0.00 61.69 58.83 1ohr s THR 96 Cb -0.22 -1.71 -0.06 0.00 1.34 0.00 0.00 72.50 71.84 1ohr s THR 96 CO 0.26 -0.79 0.43 -0.76 -0.54 0.00 0.00 174.62 173.22 1ohr s LEU 97 N -3.03 4.38 -0.04 4.79 1.43 -1.26 -5.09 118.68 119.86 1ohr s LEU 97 Ca 0.13 0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 54.08 1ohr s LEU 97 Cb 0.03 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.31 1ohr s LEU 97 CO -0.02 0.19 0.10 0.20 0.23 0.00 0.00 176.35 177.05 1ohr s ASN 98 N -1.60 -0.09 0.00 2.29 0.01 -1.26 -5.29 114.94 109.00 1ohr s ASN 98 Ca 0.32 0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.65 1ohr s ASN 98 Cb -0.15 0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.72 1ohr s ASN 98 CO 0.17 -0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.93